N-[[1-(2-aminoethyl)piperidin-2-yl]methyl]pentan-3-amine

C13H29N3 — CID 19845975

IUPACN-[[1-(2-aminoethyl)piperidin-2-yl]methyl]pentan-3-amine
SMILESCCC(CC)NCC1CCCCN1CCN
InChIInChI=1S/C13H29N3/c1-3-12(4-2)15-11-13-7-5-6-9-16(13)10-8-14/h12-13,15H,3-11,14H2,1-2H3
InChIKeyXSAMKEHNYJKFPK-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.58
Rot. Bonds7

About N-[[1-(2-aminoethyl)piperidin-2-yl]methyl]pentan-3-amine

N-[[1-(2-aminoethyl)piperidin-2-yl]methyl]pentan-3-amine (PubChem CID 19845975) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)piperidin-2-yl]methyl]pentan-3-amine.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)piperidin-2-yl]methyl]pentan-3-amine
PubChem CID19845975
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN-[[1-(2-aminoethyl)piperidin-2-yl]methyl]pentan-3-amine
SMILESCCC(CC)NCC1CCCCN1CCN
InChIInChI=1S/C13H29N3/c1-3-12(4-2)15-11-13-7-5-6-9-16(13)10-8-14/h12-13,15H,3-11,14H2,1-2H3
InChIKeyXSAMKEHNYJKFPK-UHFFFAOYSA-N
XLogP1.58
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pentan-3-amine
CID 115716465
N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pentan-3-amine
CID 103904920
2-[2-[(cyclopentylmethylamino)methyl]piperidin-1-yl]ethanamine
CID 19845944
N-[(1-propylpyrrolidin-2-yl)methyl]propan-2-amine
CID 62579817
N-[(1-ethylpyrrolidin-2-yl)methyl]butan-2-amine
CID 43195916
N-[[1-(2-ethoxyethyl)piperidin-2-yl]methyl]propan-2-amine
CID 62581842
N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-propylpropan-1-amine
CID 92982304
N-[2-(2-methylpiperidin-1-yl)ethyl]pentan-3-amine
CID 62575153
3-(2-ethylazepan-1-yl)propan-1-amine
CID 112545599
2-methyl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butan-2-ol
CID 79355209
N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine
CID 97017290
3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83052825

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)piperidin-2-yl]methyl]pentan-3-amine?
The IUPAC name of N-[[1-(2-aminoethyl)piperidin-2-yl]methyl]pentan-3-amine (CID 19845975) is N-[[1-(2-aminoethyl)piperidin-2-yl]methyl]pentan-3-amine.
What is the SMILES notation for N-[[1-(2-aminoethyl)piperidin-2-yl]methyl]pentan-3-amine?
The canonical SMILES for N-[[1-(2-aminoethyl)piperidin-2-yl]methyl]pentan-3-amine is CCC(CC)NCC1CCCCN1CCN.
What is the InChIKey of N-[[1-(2-aminoethyl)piperidin-2-yl]methyl]pentan-3-amine?
The InChIKey is XSAMKEHNYJKFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-3-12(4-2)15-11-13-7-5-6-9-16(13)10-8-14/h12-13,15H,3-11,14H2,1-2H3.
What are the key properties of N-[[1-(2-aminoethyl)piperidin-2-yl]methyl]pentan-3-amine?
N-[[1-(2-aminoethyl)piperidin-2-yl]methyl]pentan-3-amine has a molecular weight of 227.40 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)piperidin-2-yl]methyl]pentan-3-amine is sourced from PubChem (CID 19845975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).