1-cyclopropyl-N-[(1-methylpiperidin-3-yl)methyl]butan-1-amine

C14H28N2 — CID 115769979

IUPAC1-cyclopropyl-N-[(1-methylpiperidin-3-yl)methyl]butan-1-amine
SMILESCCCC(NCC1CCCN(C)C1)C1CC1
InChIInChI=1S/C14H28N2/c1-3-5-14(13-7-8-13)15-10-12-6-4-9-16(2)11-12/h12-15H,3-11H2,1-2H3
InChIKeyFXBUQGBNNNGJIL-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.50
Rot. Bonds6

About 1-cyclopropyl-N-[(1-methylpiperidin-3-yl)methyl]butan-1-amine

1-cyclopropyl-N-[(1-methylpiperidin-3-yl)methyl]butan-1-amine (PubChem CID 115769979) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(1-methylpiperidin-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(1-methylpiperidin-3-yl)methyl]butan-1-amine
PubChem CID115769979
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-cyclopropyl-N-[(1-methylpiperidin-3-yl)methyl]butan-1-amine
SMILESCCCC(NCC1CCCN(C)C1)C1CC1
InChIInChI=1S/C14H28N2/c1-3-5-14(13-7-8-13)15-10-12-6-4-9-16(2)11-12/h12-15H,3-11H2,1-2H3
InChIKeyFXBUQGBNNNGJIL-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
(2S)-2-[(1-methylpiperidin-3-yl)methylamino]butan-1-ol
CID 104980416
N-[(1-methylpyrrolidin-3-yl)methyl]hexan-3-amine
CID 103096871
1-cyclopropyl-N-[(1-ethylpyrrolidin-3-yl)methyl]propan-1-amine
CID 64920141
(1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine
CID 81350574
1-N,1-N-dimethyl-3-N-[(1-methylpiperidin-3-yl)methyl]butane-1,3-diamine
CID 62658319
N-[(1-methylpiperidin-3-yl)methyl]-1-thiophen-3-ylethanamine
CID 62090707
N'-hydroxy-2-[(1-methylpiperidin-3-yl)methylamino]butanimidamide
CID 77032015
1-(5-bromofuran-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 113437537
(1S)-1-(furan-2-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 81403787
N-[(1-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 62654881
N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylbutan-1-amine
CID 60856064

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(1-methylpiperidin-3-yl)methyl]butan-1-amine?
The IUPAC name of 1-cyclopropyl-N-[(1-methylpiperidin-3-yl)methyl]butan-1-amine (CID 115769979) is 1-cyclopropyl-N-[(1-methylpiperidin-3-yl)methyl]butan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-[(1-methylpiperidin-3-yl)methyl]butan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-[(1-methylpiperidin-3-yl)methyl]butan-1-amine is CCCC(NCC1CCCN(C)C1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[(1-methylpiperidin-3-yl)methyl]butan-1-amine?
The InChIKey is FXBUQGBNNNGJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-3-5-14(13-7-8-13)15-10-12-6-4-9-16(2)11-12/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[(1-methylpiperidin-3-yl)methyl]butan-1-amine?
1-cyclopropyl-N-[(1-methylpiperidin-3-yl)methyl]butan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(1-methylpiperidin-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 115769979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).