N-[(1-butan-2-ylpiperidin-4-yl)methyl]cyclopropanamine

C13H26N2 — CID 63848083

IUPACN-[(1-butan-2-ylpiperidin-4-yl)methyl]cyclopropanamine
SMILESCCC(C)N1CCC(CNC2CC2)CC1
InChIInChI=1S/C13H26N2/c1-3-11(2)15-8-6-12(7-9-15)10-14-13-4-5-13/h11-14H,3-10H2,1-2H3
InChIKeyPIQDUAPLRBKZTL-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.25
Rot. Bonds5

About N-[(1-butan-2-ylpiperidin-4-yl)methyl]cyclopropanamine

N-[(1-butan-2-ylpiperidin-4-yl)methyl]cyclopropanamine (PubChem CID 63848083) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-[(1-butan-2-ylpiperidin-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-butan-2-ylpiperidin-4-yl)methyl]cyclopropanamine
PubChem CID63848083
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-[(1-butan-2-ylpiperidin-4-yl)methyl]cyclopropanamine
SMILESCCC(C)N1CCC(CNC2CC2)CC1
InChIInChI=1S/C13H26N2/c1-3-11(2)15-8-6-12(7-9-15)10-14-13-4-5-13/h11-14H,3-10H2,1-2H3
InChIKeyPIQDUAPLRBKZTL-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-yl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-amine
CID 71179367
N-[(1-butan-2-ylpiperidin-3-yl)methyl]cyclopropanamine
CID 63849007
N-[2-(4-ethylpiperidin-1-yl)propyl]cyclopropanamine
CID 62413434
ethyl 3-[4-(cyclopropylmethylamino)piperidin-1-yl]butanoate
CID 115307352
N-(cyclopropylmethyl)-1-(5-methylheptan-3-yl)piperidin-4-amine
CID 115306893
N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62704648
2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide
CID 55257971
N-butyl-2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide
CID 63847374
N-[2-(4-propan-2-ylpiperidin-1-yl)propyl]cyclopropanamine
CID 103503204
1-butan-2-yl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine
CID 83997264
2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2-methylpropyl)propanamide
CID 63848084
N-[(1-butan-2-ylpyrrolidin-2-yl)methyl]cyclopropanamine
CID 79456261

Frequently Asked Questions

What is the IUPAC name of N-[(1-butan-2-ylpiperidin-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-butan-2-ylpiperidin-4-yl)methyl]cyclopropanamine (CID 63848083) is N-[(1-butan-2-ylpiperidin-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-butan-2-ylpiperidin-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-butan-2-ylpiperidin-4-yl)methyl]cyclopropanamine is CCC(C)N1CCC(CNC2CC2)CC1.
What is the InChIKey of N-[(1-butan-2-ylpiperidin-4-yl)methyl]cyclopropanamine?
The InChIKey is PIQDUAPLRBKZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-3-11(2)15-8-6-12(7-9-15)10-14-13-4-5-13/h11-14H,3-10H2,1-2H3.
What are the key properties of N-[(1-butan-2-ylpiperidin-4-yl)methyl]cyclopropanamine?
N-[(1-butan-2-ylpiperidin-4-yl)methyl]cyclopropanamine has a molecular weight of 210.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butan-2-ylpiperidin-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 63848083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).