N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylazepan-4-amine

C14H29N3 — CID 65071094

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylazepan-4-amine
SMILESCCN1CCCC1CNC1CCCN(C)CC1
InChIInChI=1S/C14H29N3/c1-3-17-10-5-7-14(17)12-15-13-6-4-9-16(2)11-8-13/h13-15H,3-12H2,1-2H3
InChIKeyNSRFTLGFGMMWLM-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.54
Rot. Bonds4

About N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylazepan-4-amine

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylazepan-4-amine (PubChem CID 65071094) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylazepan-4-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylazepan-4-amine
PubChem CID65071094
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylazepan-4-amine
SMILESCCN1CCCC1CNC1CCCN(C)CC1
InChIInChI=1S/C14H29N3/c1-3-17-10-5-7-14(17)12-15-13-6-4-9-16(2)11-8-13/h13-15H,3-12H2,1-2H3
InChIKeyNSRFTLGFGMMWLM-UHFFFAOYSA-N
XLogP1.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidin-4-amine
CID 43179038
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxan-4-amine
CID 93218125
cis-(1R,3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylcyclopentan-1-amine
CID 95376229
N-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-3-amine
CID 79725125
N-(cyclobutylmethyl)-1-methylazepan-4-amine
CID 65070057
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758375
N-[(1-hexylpyrrolidin-2-yl)methyl]cyclopropanamine
CID 62581263
N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]cyclopentanamine
CID 103852150
1-methyl-N-[(4-methylcyclohexyl)methyl]azepan-4-amine
CID 65075081
N-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 80695736
1-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-3-amine
CID 62657172
N,1-dimethylazepan-4-amine;molecular hydrogen
CID 156821685

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylazepan-4-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylazepan-4-amine (CID 65071094) is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylazepan-4-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylazepan-4-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylazepan-4-amine is CCN1CCCC1CNC1CCCN(C)CC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylazepan-4-amine?
The InChIKey is NSRFTLGFGMMWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-3-17-10-5-7-14(17)12-15-13-6-4-9-16(2)11-8-13/h13-15H,3-12H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylazepan-4-amine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylazepan-4-amine has a molecular weight of 239.41 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylazepan-4-amine is sourced from PubChem (CID 65071094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).