N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine

C14H26N4 — CID 66150946

IUPACN-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncn1CC1CCN(C)CC1
InChIInChI=1S/C14H26N4/c1-12(2)16-9-14-8-15-11-18(14)10-13-4-6-17(3)7-5-13/h8,11-13,16H,4-7,9-10H2,1-3H3
InChIKeyGCUCRTOJGBIUAH-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.72
Rot. Bonds5

About N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine

N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine (PubChem CID 66150946) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
PubChem CID66150946
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncn1CC1CCN(C)CC1
InChIInChI=1S/C14H26N4/c1-12(2)16-9-14-8-15-11-18(14)10-13-4-6-17(3)7-5-13/h8,11-13,16H,4-7,9-10H2,1-3H3
InChIKeyGCUCRTOJGBIUAH-UHFFFAOYSA-N
XLogP1.72
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-((1-methyl-1H-imidazol-4-yl)methyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 162640825
5H,6H,7H,8H-imidazo(1,2-a)pyridin-2-ylmethanamine
CID 47003215
2-(Piperidin-1-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 57786821
Imidazole, 1-methyl-5-(4-methylpiperidinoiminomethyl)-2-nitro-
CID 3052892
{5H,6H,7H,8H-imidazo[1,2-a]pyridin-2-ylmethyl}(methyl)amine
CID 82596909
5,6,7,8-Tetrahydroimidazo(1,5-a)pyrazine
CID 20825705
3-Methyl-5,6,7,8-tetrahydroimidazo(1,5-a)pyrazine
CID 20825880
3-cyclohexyl-5H,6H,7H,8H-imidazo[1,5-a]pyrazine
CID 21983608
2-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridin-6-amine
CID 43370280
4-(1-methyl-1H-imidazol-5-yl)piperidine
CID 44182357
((1-methyl-1H-imidazol-5-yl)methyl)(propan-2-yl)amine
CID 59237459
ethyl[(1-methyl-1H-imidazol-5-yl)methyl]amine
CID 59746123

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine (CID 66150946) is N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cncn1CC1CCN(C)CC1.
What is the InChIKey of N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is GCUCRTOJGBIUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-12(2)16-9-14-8-15-11-18(14)10-13-4-6-17(3)7-5-13/h8,11-13,16H,4-7,9-10H2,1-3H3.
What are the key properties of N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine?
N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 250.39 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66150946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).