N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-propylpentane-1,5-diamine

C16H35N3 — CID 55072081

IUPACN'-(1-ethylpiperidin-4-yl)-N'-methyl-N-propylpentane-1,5-diamine
SMILESCCCNCCCCCN(C)C1CCN(CC)CC1
InChIInChI=1S/C16H35N3/c1-4-11-17-12-7-6-8-13-18(3)16-9-14-19(5-2)15-10-16/h16-17H,4-15H2,1-3H3
InChIKeyKWLSPFRXKGWNIV-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.57
Rot. Bonds10

About N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-propylpentane-1,5-diamine

N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-propylpentane-1,5-diamine (PubChem CID 55072081) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-propylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-(1-ethylpiperidin-4-yl)-N'-methyl-N-propylpentane-1,5-diamine
PubChem CID55072081
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC NameN'-(1-ethylpiperidin-4-yl)-N'-methyl-N-propylpentane-1,5-diamine
SMILESCCCNCCCCCN(C)C1CCN(CC)CC1
InChIInChI=1S/C16H35N3/c1-4-11-17-12-7-6-8-13-18(3)16-9-14-19(5-2)15-10-16/h16-17H,4-15H2,1-3H3
InChIKeyKWLSPFRXKGWNIV-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N'-(oxan-4-yl)-N-propylpentane-1,5-diamine
CID 62431846
N'-(1-ethylpiperidin-4-yl)-N-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 62563787
N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine
CID 61386666
N-(2-butoxyethyl)-N'-(1-ethylpiperidin-4-yl)-N'-methylethane-1,2-diamine
CID 62554486
N-hexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 62574097
5-[(1-ethylpiperidin-4-yl)-methylamino]pentanethioamide
CID 55004464
N'-cycloheptyl-N-hexyl-N'-methylethane-1,2-diamine
CID 63503548
5-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-propylpentan-1-amine
CID 55073746
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-propylhexane-1,6-diamine
CID 79313161
N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 55088812
5-[(1-ethylpiperidin-4-yl)-methylamino]pentanimidamide
CID 55004270
4-N-methyl-4-N-octyl-1-N-propylcyclohexane-1,4-diamine
CID 79122187

Frequently Asked Questions

What is the IUPAC name of N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-propylpentane-1,5-diamine?
The IUPAC name of N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-propylpentane-1,5-diamine (CID 55072081) is N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-propylpentane-1,5-diamine.
What is the SMILES notation for N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-propylpentane-1,5-diamine?
The canonical SMILES for N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-propylpentane-1,5-diamine is CCCNCCCCCN(C)C1CCN(CC)CC1.
What is the InChIKey of N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-propylpentane-1,5-diamine?
The InChIKey is KWLSPFRXKGWNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-4-11-17-12-7-6-8-13-18(3)16-9-14-19(5-2)15-10-16/h16-17H,4-15H2,1-3H3.
What are the key properties of N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-propylpentane-1,5-diamine?
N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-propylpentane-1,5-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.57, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-propylpentane-1,5-diamine is sourced from PubChem (CID 55072081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).