N-[[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine

C16H30N4 — CID 107165435

IUPACN-[[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cncn1CC1(C)CCN(C)CC1
InChIInChI=1S/C16H30N4/c1-14(2)9-17-10-15-11-18-13-20(15)12-16(3)5-7-19(4)8-6-16/h11,13-14,17H,5-10,12H2,1-4H3
InChIKeyJHVYTQMSRSRIED-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.36
Rot. Bonds6

About N-[[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 107165435) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID107165435
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-[[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cncn1CC1(C)CCN(C)CC1
InChIInChI=1S/C16H30N4/c1-14(2)9-17-10-15-11-18-13-20(15)12-16(3)5-7-19(4)8-6-16/h11,13-14,17H,5-10,12H2,1-4H3
InChIKeyJHVYTQMSRSRIED-UHFFFAOYSA-N
XLogP2.36
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 107165436
2-methyl-N-[[3-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 79077837
N-[[3-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66146061
N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66147974
N-[[3-(2,3-dimethylbutyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66149137
2-methyl-N-[[3-(2-pyridin-4-ylethyl)imidazol-4-yl]methyl]propan-1-amine
CID 66145702
2-methyl-N-[[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methyl]propan-1-amine
CID 106009311
N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66147520
N-butan-2-yl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]propanamide
CID 66149485
2-methyl-N-[[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 79238144
N-methyl-4-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]-N-propan-2-ylbutan-1-amine
CID 66150962
2-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 66149320

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine (CID 107165435) is N-[[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cncn1CC1(C)CCN(C)CC1.
What is the InChIKey of N-[[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is JHVYTQMSRSRIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-14(2)9-17-10-15-11-18-13-20(15)12-16(3)5-7-19(4)8-6-16/h11,13-14,17H,5-10,12H2,1-4H3.
What are the key properties of N-[[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107165435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).