1-cyclopropyl-N-[2-(4,4-dimethylazepan-1-yl)ethyl]ethanamine

C15H30N2 — CID 65286870

IUPAC1-cyclopropyl-N-[2-(4,4-dimethylazepan-1-yl)ethyl]ethanamine
SMILESCC(NCCN1CCCC(C)(C)CC1)C1CC1
InChIInChI=1S/C15H30N2/c1-13(14-5-6-14)16-9-12-17-10-4-7-15(2,3)8-11-17/h13-14,16H,4-12H2,1-3H3
InChIKeyBTWQJFAFDHQORJ-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.89
Rot. Bonds5

About 1-cyclopropyl-N-[2-(4,4-dimethylazepan-1-yl)ethyl]ethanamine

1-cyclopropyl-N-[2-(4,4-dimethylazepan-1-yl)ethyl]ethanamine (PubChem CID 65286870) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(4,4-dimethylazepan-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(4,4-dimethylazepan-1-yl)ethyl]ethanamine
PubChem CID65286870
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-cyclopropyl-N-[2-(4,4-dimethylazepan-1-yl)ethyl]ethanamine
SMILESCC(NCCN1CCCC(C)(C)CC1)C1CC1
InChIInChI=1S/C15H30N2/c1-13(14-5-6-14)16-9-12-17-10-4-7-15(2,3)8-11-17/h13-14,16H,4-12H2,1-3H3
InChIKeyBTWQJFAFDHQORJ-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(azocan-1-yl)ethyl]-1-cyclopropylethanamine
CID 62574708
N-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]-1-cyclopropylethanamine
CID 55160453
N-[2-(azepan-1-yl)ethyl]-1-cyclohexylethanamine
CID 61241929
1-cyclopropyl-N-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethyl]ethanamine
CID 107459681
1-cyclopropyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]ethanamine
CID 103503465
1-(1-methylpiperidin-4-yl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 54967519
1-cyclopropyl-N-[2-(1,4-thiazepan-4-yl)ethyl]ethanamine
CID 62556728
1-cyclopentyl-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
CID 62631760
1-cyclopropyl-N-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]ethanamine
CID 63620008
1-cyclopropyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine
CID 62967083
N-[2-(4,4-dimethylazepan-1-yl)ethyl]cycloheptanamine
CID 65286769
(1R)-1-cyclopentyl-N-(2-morpholin-4-ylethyl)ethanamine
CID 81394367

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(4,4-dimethylazepan-1-yl)ethyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-[2-(4,4-dimethylazepan-1-yl)ethyl]ethanamine (CID 65286870) is 1-cyclopropyl-N-[2-(4,4-dimethylazepan-1-yl)ethyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[2-(4,4-dimethylazepan-1-yl)ethyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-[2-(4,4-dimethylazepan-1-yl)ethyl]ethanamine is CC(NCCN1CCCC(C)(C)CC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[2-(4,4-dimethylazepan-1-yl)ethyl]ethanamine?
The InChIKey is BTWQJFAFDHQORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-13(14-5-6-14)16-9-12-17-10-4-7-15(2,3)8-11-17/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-[2-(4,4-dimethylazepan-1-yl)ethyl]ethanamine?
1-cyclopropyl-N-[2-(4,4-dimethylazepan-1-yl)ethyl]ethanamine has a molecular weight of 238.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(4,4-dimethylazepan-1-yl)ethyl]ethanamine is sourced from PubChem (CID 65286870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).