N-[1-[2-(2-ethylpentyl)-1,2,6,6-tetramethylpiperidin-4-yl]propan-2-yl]-N'-prop-1-en-2-ylhexane-1,6-diamine

C28H57N3 — CID 145133479

IUPACN-[1-[2-(2-ethylpentyl)-1,2,6,6-tetramethylpiperidin-4-yl]propan-2-yl]-N'-prop-1-en-2-ylhexane-1,6-diamine
SMILESC=C(C)NCCCCCCNC(C)CC1CC(C)(C)N(C)C(C)(CC(CC)CCC)C1
InChIInChI=1S/C28H57N3/c1-10-16-25(11-2)21-28(8)22-26(20-27(6,7)31(28)9)19-24(5)30-18-15-13-12-14-17-29-23(3)4/h24-26,29-30H,3,10-22H2,1-2,4-9H3
InChIKeyNVJTUKWPXSFBSO-UHFFFAOYSA-N
MW435.79 g/mol
LogP7.13
Rot. Bonds16

About N-[1-[2-(2-ethylpentyl)-1,2,6,6-tetramethylpiperidin-4-yl]propan-2-yl]-N'-prop-1-en-2-ylhexane-1,6-diamine

N-[1-[2-(2-ethylpentyl)-1,2,6,6-tetramethylpiperidin-4-yl]propan-2-yl]-N'-prop-1-en-2-ylhexane-1,6-diamine (PubChem CID 145133479) has the molecular formula C28H57N3 and a molecular weight of 435.79 g/mol. Its IUPAC name is N-[1-[2-(2-ethylpentyl)-1,2,6,6-tetramethylpiperidin-4-yl]propan-2-yl]-N'-prop-1-en-2-ylhexane-1,6-diamine.

Molecular Properties

Compound NameN-[1-[2-(2-ethylpentyl)-1,2,6,6-tetramethylpiperidin-4-yl]propan-2-yl]-N'-prop-1-en-2-ylhexane-1,6-diamine
PubChem CID145133479
Molecular FormulaC28H57N3
Molecular Weight435.79 g/mol
Exact Mass435.46
IUPAC NameN-[1-[2-(2-ethylpentyl)-1,2,6,6-tetramethylpiperidin-4-yl]propan-2-yl]-N'-prop-1-en-2-ylhexane-1,6-diamine
SMILESC=C(C)NCCCCCCNC(C)CC1CC(C)(C)N(C)C(C)(CC(CC)CCC)C1
InChIInChI=1S/C28H57N3/c1-10-16-25(11-2)21-28(8)22-26(20-27(6,7)31(28)9)19-24(5)30-18-15-13-12-14-17-29-23(3)4/h24-26,29-30H,3,10-22H2,1-2,4-9H3
InChIKeyNVJTUKWPXSFBSO-UHFFFAOYSA-N
XLogP7.13
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.79
LogP ≤ 57.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[1-[2-(2-ethylpentyl)-1,2,6,6-tetramethylpiperidin-4-yl]propan-2-yl]-N'-prop-1-en-2-ylhexane-1,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1,2,2,6,6-pentamethylpiperidin-4-yl) N-hexylcarbamate
CID 54571044
N-pentan-2-ylheptan-1-amine
CID 43129169
1,2,2,6,6-pentamethyl-4-(3-methylundec-1-en-2-yloxy)piperidine
CID 134316434
5,8-diethyl-9-N,9-N-dimethyl-1-N-prop-1-en-2-yldecane-1,9-diamine
CID 170194106
N-(1-cyclopropylpropan-2-yl)-4-methylpentan-1-amine
CID 81300289
N-(4-methylpentyl)-9-(prop-1-en-2-ylamino)nonanamide
CID 168959940
N-(1-cyclopropylpropan-2-yl)pent-4-yn-1-amine
CID 115724863
N-butan-2-yldodecan-1-amine
CID 63489622
N-butan-2-ylundecan-1-amine
CID 151961423
3-(2-ethylpentyl)-1-methylazetidine
CID 142104566
N-(3-methylbut-1-en-2-yl)hexan-1-amine
CID 129308708
ethane;methane;1,2,2,6,6-pentamethyl-4-(4-methyloctyl)piperidine
CID 159909594

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-ethylpentyl)-1,2,6,6-tetramethylpiperidin-4-yl]propan-2-yl]-N'-prop-1-en-2-ylhexane-1,6-diamine?
The IUPAC name of N-[1-[2-(2-ethylpentyl)-1,2,6,6-tetramethylpiperidin-4-yl]propan-2-yl]-N'-prop-1-en-2-ylhexane-1,6-diamine (CID 145133479) is N-[1-[2-(2-ethylpentyl)-1,2,6,6-tetramethylpiperidin-4-yl]propan-2-yl]-N'-prop-1-en-2-ylhexane-1,6-diamine.
What is the SMILES notation for N-[1-[2-(2-ethylpentyl)-1,2,6,6-tetramethylpiperidin-4-yl]propan-2-yl]-N'-prop-1-en-2-ylhexane-1,6-diamine?
The canonical SMILES for N-[1-[2-(2-ethylpentyl)-1,2,6,6-tetramethylpiperidin-4-yl]propan-2-yl]-N'-prop-1-en-2-ylhexane-1,6-diamine is C=C(C)NCCCCCCNC(C)CC1CC(C)(C)N(C)C(C)(CC(CC)CCC)C1.
What is the InChIKey of N-[1-[2-(2-ethylpentyl)-1,2,6,6-tetramethylpiperidin-4-yl]propan-2-yl]-N'-prop-1-en-2-ylhexane-1,6-diamine?
The InChIKey is NVJTUKWPXSFBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H57N3/c1-10-16-25(11-2)21-28(8)22-26(20-27(6,7)31(28)9)19-24(5)30-18-15-13-12-14-17-29-23(3)4/h24-26,29-30H,3,10-22H2,1-2,4-9H3.
What are the key properties of N-[1-[2-(2-ethylpentyl)-1,2,6,6-tetramethylpiperidin-4-yl]propan-2-yl]-N'-prop-1-en-2-ylhexane-1,6-diamine?
N-[1-[2-(2-ethylpentyl)-1,2,6,6-tetramethylpiperidin-4-yl]propan-2-yl]-N'-prop-1-en-2-ylhexane-1,6-diamine has a molecular weight of 435.79 g/mol, XLogP of 7.13, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-ethylpentyl)-1,2,6,6-tetramethylpiperidin-4-yl]propan-2-yl]-N'-prop-1-en-2-ylhexane-1,6-diamine is sourced from PubChem (CID 145133479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).