N-[(1-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylazepan-4-amine

C15H31N3 — CID 65073948

IUPACN-[(1-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylazepan-4-amine
SMILESCC(C)N1CCCC(NCC2CCN(C)C2)CC1
InChIInChI=1S/C15H31N3/c1-13(2)18-8-4-5-15(7-10-18)16-11-14-6-9-17(3)12-14/h13-16H,4-12H2,1-3H3
InChIKeyMOYKTJJMZJMUJM-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds4

About N-[(1-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylazepan-4-amine

N-[(1-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylazepan-4-amine (PubChem CID 65073948) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylazepan-4-amine
PubChem CID65073948
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-[(1-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylazepan-4-amine
SMILESCC(C)N1CCCC(NCC2CCN(C)C2)CC1
InChIInChI=1S/C15H31N3/c1-13(2)18-8-4-5-15(7-10-18)16-11-14-6-9-17(3)12-14/h13-16H,4-12H2,1-3H3
InChIKeyMOYKTJJMZJMUJM-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 62976183
N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentanamine
CID 60856905
1-butan-2-yl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-amine
CID 71179367
N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopropanamine
CID 62582229
1-propan-2-yl-N-(thiolan-3-ylmethyl)azepan-4-amine
CID 107295361
3-[[(1-propan-2-ylazepan-4-yl)amino]methyl]cyclohexan-1-ol
CID 106124034
N-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448296
1-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-3-amine
CID 62657172
N-(cyclobutylmethyl)-1-methylazepan-4-amine
CID 65070057
N-[(4-methylmorpholin-2-yl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 79083312
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]spiro[4.5]decan-8-amine
CID 114817523
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4-propylcycloheptan-1-amine
CID 65091119

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylazepan-4-amine?
The IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylazepan-4-amine (CID 65073948) is N-[(1-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for N-[(1-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylazepan-4-amine?
The canonical SMILES for N-[(1-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylazepan-4-amine is CC(C)N1CCCC(NCC2CCN(C)C2)CC1.
What is the InChIKey of N-[(1-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylazepan-4-amine?
The InChIKey is MOYKTJJMZJMUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-13(2)18-8-4-5-15(7-10-18)16-11-14-6-9-17(3)12-14/h13-16H,4-12H2,1-3H3.
What are the key properties of N-[(1-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylazepan-4-amine?
N-[(1-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylazepan-4-amine has a molecular weight of 253.43 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 65073948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).