N-(2,2-dimethylpropyl)-N-ethyl-7-methyloctan-1-amine

C16H35N — CID 138647215

IUPACN-(2,2-dimethylpropyl)-N-ethyl-7-methyloctan-1-amine
SMILESCCN(CCCCCCC(C)C)CC(C)(C)C
InChIInChI=1S/C16H35N/c1-7-17(14-16(4,5)6)13-11-9-8-10-12-15(2)3/h15H,7-14H2,1-6H3
InChIKeyPSGYSRKJZGQPIQ-UHFFFAOYSA-N
MW241.46 g/mol
LogP4.96
Rot. Bonds9

About N-(2,2-dimethylpropyl)-N-ethyl-7-methyloctan-1-amine

N-(2,2-dimethylpropyl)-N-ethyl-7-methyloctan-1-amine (PubChem CID 138647215) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-ethyl-7-methyloctan-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-ethyl-7-methyloctan-1-amine
PubChem CID138647215
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC NameN-(2,2-dimethylpropyl)-N-ethyl-7-methyloctan-1-amine
SMILESCCN(CCCCCCC(C)C)CC(C)(C)C
InChIInChI=1S/C16H35N/c1-7-17(14-16(4,5)6)13-11-9-8-10-12-15(2)3/h15H,7-14H2,1-6H3
InChIKeyPSGYSRKJZGQPIQ-UHFFFAOYSA-N
XLogP4.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.46
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-15-methylhexadecan-1-amine
CID 139723585
N,N-diethyl-16-methylheptadecan-1-amine
CID 22925563
N,N-diethyl-7-methyloctan-1-amine
CID 140640735
N,N-diethylethanamine;6-methyl-N,N-bis(6-methylheptyl)heptan-1-amine
CID 88608998
N-ethyl-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 138647953
N-(12-methyltridecyl)-N-octadecyloctadecan-1-amine
CID 139723792
N,N-bis(10-methylundecyl)hexadecan-1-amine
CID 139723319
N,N-dihexyl-12-methyltridecan-1-amine
CID 139723652
N,N-bis(12-methyltridecyl)heptadecan-1-amine
CID 139722647
N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine
CID 139723142
15-methyl-N,N-di(pentadecyl)hexadecan-1-amine
CID 139722859
N-(9-methyldecyl)-N-octadecyloctadecan-1-amine
CID 139722861

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-ethyl-7-methyloctan-1-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-N-ethyl-7-methyloctan-1-amine (CID 138647215) is N-(2,2-dimethylpropyl)-N-ethyl-7-methyloctan-1-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-ethyl-7-methyloctan-1-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-ethyl-7-methyloctan-1-amine is CCN(CCCCCCC(C)C)CC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-ethyl-7-methyloctan-1-amine?
The InChIKey is PSGYSRKJZGQPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-7-17(14-16(4,5)6)13-11-9-8-10-12-15(2)3/h15H,7-14H2,1-6H3.
What are the key properties of N-(2,2-dimethylpropyl)-N-ethyl-7-methyloctan-1-amine?
N-(2,2-dimethylpropyl)-N-ethyl-7-methyloctan-1-amine has a molecular weight of 241.46 g/mol, XLogP of 4.96, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-ethyl-7-methyloctan-1-amine is sourced from PubChem (CID 138647215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).