N-hept-1-en-2-yl-2,3,3,4-tetramethylpentan-2-amine

C16H33N — CID 166734429

IUPACN-hept-1-en-2-yl-2,3,3,4-tetramethylpentan-2-amine
SMILESC=C(CCCCC)NC(C)(C)C(C)(C)C(C)C
InChIInChI=1S/C16H33N/c1-9-10-11-12-14(4)17-16(7,8)15(5,6)13(2)3/h13,17H,4,9-12H2,1-3,5-8H3
InChIKeyNSVXILLZZXXWQG-UHFFFAOYSA-N
MW239.45 g/mol
LogP5.13
Rot. Bonds8

About N-hept-1-en-2-yl-2,3,3,4-tetramethylpentan-2-amine

N-hept-1-en-2-yl-2,3,3,4-tetramethylpentan-2-amine (PubChem CID 166734429) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-hept-1-en-2-yl-2,3,3,4-tetramethylpentan-2-amine.

Molecular Properties

Compound NameN-hept-1-en-2-yl-2,3,3,4-tetramethylpentan-2-amine
PubChem CID166734429
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-hept-1-en-2-yl-2,3,3,4-tetramethylpentan-2-amine
SMILESC=C(CCCCC)NC(C)(C)C(C)(C)C(C)C
InChIInChI=1S/C16H33N/c1-9-10-11-12-14(4)17-16(7,8)15(5,6)13(2)3/h13,17H,4,9-12H2,1-3,5-8H3
InChIKeyNSVXILLZZXXWQG-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.45
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-Tert-butyl-2-methyl-5-methylidenepyrrolidine
CID 58533086
2,2-Dimethyl-6-methylidene-4-propan-2-ylpiperidine
CID 89116488
2-Tert-butyl-2,4,4-trimethyl-5-methylidenepyrrolidine
CID 89476334
N-(1-cyclopentylethenyl)-2-methylpropan-2-amine
CID 89706877
2-Methyl-5-methylidene-2-propan-2-ylpyrrolidine
CID 121369290
N-(4,4-dimethylpent-1-en-2-yl)-2,5-dimethylhexan-2-amine
CID 126575397
N,5-ditert-butyl-7-methyl-4-methylidene-3-propan-2-ylocta-1,7-dien-2-amine
CID 126613968
N-(1-cyclohexylethenyl)-4,4-dimethylpent-1-en-2-amine
CID 126700057
N-(3,5-dimethylhexan-2-yl)-3,5-dimethyl-3-propan-2-ylhex-1-en-2-amine
CID 126706749
2-methyl-N-pent-1-en-2-ylhexan-2-amine
CID 126713915
2-[(3-Tert-butyl-5,5-dimethylhex-1-en-2-yl)amino]-2-methylpropane-1-thiol
CID 126735836
2,2,4-trimethyl-N-(3-methylbut-1-en-2-yl)-N'-(3-methylpent-1-en-2-yl)hexane-1,6-diamine
CID 126746319

Frequently Asked Questions

What is the IUPAC name of N-hept-1-en-2-yl-2,3,3,4-tetramethylpentan-2-amine?
The IUPAC name of N-hept-1-en-2-yl-2,3,3,4-tetramethylpentan-2-amine (CID 166734429) is N-hept-1-en-2-yl-2,3,3,4-tetramethylpentan-2-amine.
What is the SMILES notation for N-hept-1-en-2-yl-2,3,3,4-tetramethylpentan-2-amine?
The canonical SMILES for N-hept-1-en-2-yl-2,3,3,4-tetramethylpentan-2-amine is C=C(CCCCC)NC(C)(C)C(C)(C)C(C)C.
What is the InChIKey of N-hept-1-en-2-yl-2,3,3,4-tetramethylpentan-2-amine?
The InChIKey is NSVXILLZZXXWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-9-10-11-12-14(4)17-16(7,8)15(5,6)13(2)3/h13,17H,4,9-12H2,1-3,5-8H3.
What are the key properties of N-hept-1-en-2-yl-2,3,3,4-tetramethylpentan-2-amine?
N-hept-1-en-2-yl-2,3,3,4-tetramethylpentan-2-amine has a molecular weight of 239.45 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hept-1-en-2-yl-2,3,3,4-tetramethylpentan-2-amine is sourced from PubChem (CID 166734429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).