N,5-ditert-butyl-7-methyl-4-methylidene-3-propan-2-ylocta-1,7-dien-2-amine

C21H39N — CID 126613968

IUPACN,5-ditert-butyl-7-methyl-4-methylidene-3-propan-2-ylocta-1,7-dien-2-amine
SMILESC=C(C)CC(C(=C)C(C(=C)NC(C)(C)C)C(C)C)C(C)(C)C
InChIInChI=1S/C21H39N/c1-14(2)13-18(20(7,8)9)16(5)19(15(3)4)17(6)22-21(10,11)12/h15,18-19,22H,1,5-6,13H2,2-4,7-12H3
InChIKeyFEGFRUWIRYRNOE-UHFFFAOYSA-N
MW305.55 g/mol
LogP6.35
Rot. Bonds7

About N,5-ditert-butyl-7-methyl-4-methylidene-3-propan-2-ylocta-1,7-dien-2-amine

N,5-ditert-butyl-7-methyl-4-methylidene-3-propan-2-ylocta-1,7-dien-2-amine (PubChem CID 126613968) has the molecular formula C21H39N and a molecular weight of 305.55 g/mol. Its IUPAC name is N,5-ditert-butyl-7-methyl-4-methylidene-3-propan-2-ylocta-1,7-dien-2-amine.

Molecular Properties

Compound NameN,5-ditert-butyl-7-methyl-4-methylidene-3-propan-2-ylocta-1,7-dien-2-amine
PubChem CID126613968
Molecular FormulaC21H39N
Molecular Weight305.55 g/mol
Exact Mass305.31
IUPAC NameN,5-ditert-butyl-7-methyl-4-methylidene-3-propan-2-ylocta-1,7-dien-2-amine
SMILESC=C(C)CC(C(=C)C(C(=C)NC(C)(C)C)C(C)C)C(C)(C)C
InChIInChI=1S/C21H39N/c1-14(2)13-18(20(7,8)9)16(5)19(15(3)4)17(6)22-21(10,11)12/h15,18-19,22H,1,5-6,13H2,2-4,7-12H3
InChIKeyFEGFRUWIRYRNOE-UHFFFAOYSA-N
XLogP6.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.55
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N-(3-fluorobut-3-enyl)-4,4,7,8-tetramethylnon-1-en-2-amine
CID 126559121
2-fluoro-3,3,10-trimethyl-N-(3-methylbut-1-en-2-yl)undec-10-en-1-amine
CID 169881078
N-[1-(1-fluorocyclooct-2-yn-1-yl)ethenyl]-2,4,4,5-tetramethylhex-5-en-2-amine
CID 174271500
(E)-7-butyl-9-methyl-N-[(Z)-5-methyltridec-5-en-6-yl]undec-3-en-3-amine
CID 88991446
N-tert-butyl-2,4,4,6,6-pentamethyl-5-methylideneheptan-2-amine
CID 123978386
2-(3,3-Dimethylbutyl)-3-methyl-3-pentan-3-yl-2-prop-1-en-2-ylaziridine
CID 126544127
N-(3,3-dimethylbutyl)-2,5,9,9-tetramethyl-8-methylidenedecan-2-amine
CID 126571138
4,4,6,7,7,8-hexamethyl-N-(4-methylpent-1-en-2-yl)nonan-2-amine
CID 126692502
(7E)-7,8-ditert-butyl-3-methyl-2-methylidene-3,4,5,6-tetrahydro-1H-azocine
CID 129054019
(4S)-N-[2-(2,3-dimethylbutan-2-yl)-3,3,4-trimethylpent-4-enyl]-2,3,3,4,5,5,6,6,7,7,10-undecamethyl-8,8,9-tri(propan-2-yl)undecan-4-amine
CID 129108499
(3R)-3-ethyl-4,4-dimethyl-N-(3-methylbut-3-enyl)hept-1-en-2-amine
CID 129226663
N,7-dimethyl-5-methylidene-3,4-di(propan-2-yl)oct-1-en-2-amine
CID 130306813

Frequently Asked Questions

What is the IUPAC name of N,5-ditert-butyl-7-methyl-4-methylidene-3-propan-2-ylocta-1,7-dien-2-amine?
The IUPAC name of N,5-ditert-butyl-7-methyl-4-methylidene-3-propan-2-ylocta-1,7-dien-2-amine (CID 126613968) is N,5-ditert-butyl-7-methyl-4-methylidene-3-propan-2-ylocta-1,7-dien-2-amine.
What is the SMILES notation for N,5-ditert-butyl-7-methyl-4-methylidene-3-propan-2-ylocta-1,7-dien-2-amine?
The canonical SMILES for N,5-ditert-butyl-7-methyl-4-methylidene-3-propan-2-ylocta-1,7-dien-2-amine is C=C(C)CC(C(=C)C(C(=C)NC(C)(C)C)C(C)C)C(C)(C)C.
What is the InChIKey of N,5-ditert-butyl-7-methyl-4-methylidene-3-propan-2-ylocta-1,7-dien-2-amine?
The InChIKey is FEGFRUWIRYRNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N/c1-14(2)13-18(20(7,8)9)16(5)19(15(3)4)17(6)22-21(10,11)12/h15,18-19,22H,1,5-6,13H2,2-4,7-12H3.
What are the key properties of N,5-ditert-butyl-7-methyl-4-methylidene-3-propan-2-ylocta-1,7-dien-2-amine?
N,5-ditert-butyl-7-methyl-4-methylidene-3-propan-2-ylocta-1,7-dien-2-amine has a molecular weight of 305.55 g/mol, XLogP of 6.35, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-ditert-butyl-7-methyl-4-methylidene-3-propan-2-ylocta-1,7-dien-2-amine is sourced from PubChem (CID 126613968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).