N-[[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]methyl]propan-1-amine

C16H30N4 — CID 66153816

IUPACN-[[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN(Cc2cncn2CCC)C1
InChIInChI=1S/C16H30N4/c1-3-7-17-10-15-6-5-9-19(12-15)13-16-11-18-14-20(16)8-4-2/h11,14-15,17H,3-10,12-13H2,1-2H3
InChIKeyNLPCGBDINVFJOY-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.50
Rot. Bonds8

About N-[[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]methyl]propan-1-amine

N-[[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]methyl]propan-1-amine (PubChem CID 66153816) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]methyl]propan-1-amine
PubChem CID66153816
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-[[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN(Cc2cncn2CCC)C1
InChIInChI=1S/C16H30N4/c1-3-7-17-10-15-6-5-9-19(12-15)13-16-11-18-14-20(16)8-4-2/h11,14-15,17H,3-10,12-13H2,1-2H3
InChIKeyNLPCGBDINVFJOY-UHFFFAOYSA-N
XLogP2.50
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3-propylimidazol-4-yl)methyl]piperidin-3-ol
CID 66154969
N-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 66154550
3-methyl-1-[(3-propylimidazol-4-yl)methyl]piperazine
CID 66130031
N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62582031
N-[(1-decylpiperidin-3-yl)methyl]propan-1-amine
CID 63528370
N-[(3-methylimidazol-4-yl)methyl]-1-[(3S)-1-propylpyrrolidin-3-yl]methanamine
CID 124682664
4-[(3-propylimidazol-4-yl)methyl]morpholine-2-carboxylic acid
CID 66129464
1-[2-[3-(propylaminomethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82896565
N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]propan-1-amine
CID 62581675
N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 82873131
N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 62582034
N-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 62581870

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]methyl]propan-1-amine (CID 66153816) is N-[[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]methyl]propan-1-amine is CCCNCC1CCCN(Cc2cncn2CCC)C1.
What is the InChIKey of N-[[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]methyl]propan-1-amine?
The InChIKey is NLPCGBDINVFJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-3-7-17-10-15-6-5-9-19(12-15)13-16-11-18-14-20(16)8-4-2/h11,14-15,17H,3-10,12-13H2,1-2H3.
What are the key properties of N-[[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]methyl]propan-1-amine?
N-[[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]methyl]propan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 66153816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).