N,3,3-trimethyl-1-(4-methylazepan-1-yl)butan-2-amine

C14H30N2 — CID 63622402

IUPACN,3,3-trimethyl-1-(4-methylazepan-1-yl)butan-2-amine
SMILESCNC(CN1CCCC(C)CC1)C(C)(C)C
InChIInChI=1S/C14H30N2/c1-12-7-6-9-16(10-8-12)11-13(15-5)14(2,3)4/h12-13,15H,6-11H2,1-5H3
InChIKeyDPWRREGZPJQCBN-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds3

About N,3,3-trimethyl-1-(4-methylazepan-1-yl)butan-2-amine

N,3,3-trimethyl-1-(4-methylazepan-1-yl)butan-2-amine (PubChem CID 63622402) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N,3,3-trimethyl-1-(4-methylazepan-1-yl)butan-2-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-1-(4-methylazepan-1-yl)butan-2-amine
PubChem CID63622402
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN,3,3-trimethyl-1-(4-methylazepan-1-yl)butan-2-amine
SMILESCNC(CN1CCCC(C)CC1)C(C)(C)C
InChIInChI=1S/C14H30N2/c1-12-7-6-9-16(10-8-12)11-13(15-5)14(2,3)4/h12-13,15H,6-11H2,1-5H3
InChIKeyDPWRREGZPJQCBN-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(methoxymethyl)piperidin-1-yl]-N,3,3-trimethylbutan-2-amine
CID 63973269
1-(tert-butylamino)-3-(4-methylazepan-1-yl)propan-2-ol
CID 115475343
4,4-dimethyl-1-(4-methylazepan-1-yl)-N-propylpentan-3-amine
CID 63624701
methyl 2-(methylamino)-3-(4-methylazepan-1-yl)propanoate
CID 63623762
1-(2,2-dimethylpropyl)-4-methylazepane
CID 142575360
(2R)-1-(4-methylazepan-1-yl)butan-2-amine
CID 130522357
N,3,3-trimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine
CID 66392098
N-methyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine
CID 55249395
1-chloro-3-(4-methylazepan-1-yl)propan-2-ol
CID 112561671
1-(4-methylazepan-1-yl)pentan-2-amine
CID 63624430
3,3-dimethyl-4-(4-methylazepan-1-yl)butan-2-ol
CID 66453480
1-cyclohexyl-N-ethyl-2-(4-methylazepan-1-yl)ethanamine
CID 104746295

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-1-(4-methylazepan-1-yl)butan-2-amine?
The IUPAC name of N,3,3-trimethyl-1-(4-methylazepan-1-yl)butan-2-amine (CID 63622402) is N,3,3-trimethyl-1-(4-methylazepan-1-yl)butan-2-amine.
What is the SMILES notation for N,3,3-trimethyl-1-(4-methylazepan-1-yl)butan-2-amine?
The canonical SMILES for N,3,3-trimethyl-1-(4-methylazepan-1-yl)butan-2-amine is CNC(CN1CCCC(C)CC1)C(C)(C)C.
What is the InChIKey of N,3,3-trimethyl-1-(4-methylazepan-1-yl)butan-2-amine?
The InChIKey is DPWRREGZPJQCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12-7-6-9-16(10-8-12)11-13(15-5)14(2,3)4/h12-13,15H,6-11H2,1-5H3.
What are the key properties of N,3,3-trimethyl-1-(4-methylazepan-1-yl)butan-2-amine?
N,3,3-trimethyl-1-(4-methylazepan-1-yl)butan-2-amine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-1-(4-methylazepan-1-yl)butan-2-amine is sourced from PubChem (CID 63622402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).