1-butan-2-yl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-amine

C15H31N3 — CID 71179367

IUPAC1-butan-2-yl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-amine
SMILESCCC(C)N1CCC(NCC2CCN(C)C2)CC1
InChIInChI=1S/C15H31N3/c1-4-13(2)18-9-6-15(7-10-18)16-11-14-5-8-17(3)12-14/h13-16H,4-12H2,1-3H3
InChIKeyWCPGCHNRZLDTPM-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds5

About 1-butan-2-yl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-amine

1-butan-2-yl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-amine (PubChem CID 71179367) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-butan-2-yl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-butan-2-yl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-amine
PubChem CID71179367
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-butan-2-yl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-amine
SMILESCCC(C)N1CCC(NCC2CCN(C)C2)CC1
InChIInChI=1S/C15H31N3/c1-4-13(2)18-9-6-15(7-10-18)16-11-14-5-8-17(3)12-14/h13-16H,4-12H2,1-3H3
InChIKeyWCPGCHNRZLDTPM-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

N-[(1-butan-2-ylpiperidin-4-yl)methyl]cyclopropanamine
CID 63848083
N-[(1-methylpyrrolidin-3-yl)methyl]-1-propan-2-ylazepan-4-amine
CID 65073948
1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 62976183
N-[(1-butan-2-ylpiperidin-3-yl)methyl]cyclopropanamine
CID 63849007
N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentanamine
CID 60856905
N-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448296
N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62704648
ethyl 3-[4-(cyclopropylmethylamino)piperidin-1-yl]butanoate
CID 115307352
N-(cyclopropylmethyl)-1-(5-methylheptan-3-yl)piperidin-4-amine
CID 115306893
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61207184
4-(2-methylbutan-2-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexan-1-amine
CID 61209081
N-[2-(4-ethylpiperidin-1-yl)propyl]cyclopropanamine
CID 62413434

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-butan-2-yl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-amine (CID 71179367) is 1-butan-2-yl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-butan-2-yl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-butan-2-yl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-amine is CCC(C)N1CCC(NCC2CCN(C)C2)CC1.
What is the InChIKey of 1-butan-2-yl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-amine?
The InChIKey is WCPGCHNRZLDTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-4-13(2)18-9-6-15(7-10-18)16-11-14-5-8-17(3)12-14/h13-16H,4-12H2,1-3H3.
What are the key properties of 1-butan-2-yl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-amine?
1-butan-2-yl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-amine has a molecular weight of 253.43 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 71179367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).