N-ethyl-2-methyl-3-(4-methylazepan-1-yl)butan-1-amine

C14H30N2 — CID 81019015

IUPACN-ethyl-2-methyl-3-(4-methylazepan-1-yl)butan-1-amine
SMILESCCNCC(C)C(C)N1CCCC(C)CC1
InChIInChI=1S/C14H30N2/c1-5-15-11-13(3)14(4)16-9-6-7-12(2)8-10-16/h12-15H,5-11H2,1-4H3
InChIKeyOFGMUJGPAYUSSG-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds5

About N-ethyl-2-methyl-3-(4-methylazepan-1-yl)butan-1-amine

N-ethyl-2-methyl-3-(4-methylazepan-1-yl)butan-1-amine (PubChem CID 81019015) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-(4-methylazepan-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-(4-methylazepan-1-yl)butan-1-amine
PubChem CID81019015
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-ethyl-2-methyl-3-(4-methylazepan-1-yl)butan-1-amine
SMILESCCNCC(C)C(C)N1CCCC(C)CC1
InChIInChI=1S/C14H30N2/c1-5-15-11-13(3)14(4)16-9-6-7-12(2)8-10-16/h12-15H,5-11H2,1-4H3
InChIKeyOFGMUJGPAYUSSG-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

2-methyl-3-(4-methylazepan-1-yl)butan-1-amine
CID 79408333
3-(4-tert-butylpiperidin-1-yl)-N-ethyl-2-methylbutan-1-amine
CID 81012728
2-methyl-N-(2-methylpropyl)-3-(4-propan-2-ylazepan-1-yl)butan-1-amine
CID 81018781
N-ethyl-2-methyl-3-(1,4-oxazepan-4-yl)butan-1-amine
CID 81019597
N-ethyl-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine
CID 81019358
N-ethyl-2-methyl-3-thiomorpholin-4-ylbutan-1-amine
CID 81012639
N-[2-methyl-3-(4-propan-2-ylazepan-1-yl)butyl]cyclopropanamine
CID 79409298
3-(2,6-dimethylthiomorpholin-4-yl)-N-ethyl-2-methylbutan-1-amine
CID 81019489
ethane;4-methyl-1-propan-2-ylazepane
CID 144749711
4-methyl-2-(4-methylazepan-1-yl)-3-propan-2-ylpentan-1-amine
CID 114281893
3-(4-ethylpiperidin-1-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 81012074
N-[2-(4-methylazepan-1-yl)propyl]cyclopropanamine
CID 63625080

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3-(4-methylazepan-1-yl)butan-1-amine?
The IUPAC name of N-ethyl-2-methyl-3-(4-methylazepan-1-yl)butan-1-amine (CID 81019015) is N-ethyl-2-methyl-3-(4-methylazepan-1-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-3-(4-methylazepan-1-yl)butan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-3-(4-methylazepan-1-yl)butan-1-amine is CCNCC(C)C(C)N1CCCC(C)CC1.
What is the InChIKey of N-ethyl-2-methyl-3-(4-methylazepan-1-yl)butan-1-amine?
The InChIKey is OFGMUJGPAYUSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-15-11-13(3)14(4)16-9-6-7-12(2)8-10-16/h12-15H,5-11H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-3-(4-methylazepan-1-yl)butan-1-amine?
N-ethyl-2-methyl-3-(4-methylazepan-1-yl)butan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3-(4-methylazepan-1-yl)butan-1-amine is sourced from PubChem (CID 81019015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).