2-methyl-N-[[2-[(1-propylimidazol-2-yl)methyl]cyclobutyl]methyl]propan-1-amine

C16H29N3 — CID 81022292

IUPAC2-methyl-N-[[2-[(1-propylimidazol-2-yl)methyl]cyclobutyl]methyl]propan-1-amine
SMILESCCCn1ccnc1CC1CCC1CNCC(C)C
InChIInChI=1S/C16H29N3/c1-4-8-19-9-7-18-16(19)10-14-5-6-15(14)12-17-11-13(2)3/h7,9,13-15,17H,4-6,8,10-12H2,1-3H3
InChIKeyAIWIKESPERTNFX-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.11
Rot. Bonds8

About 2-methyl-N-[[2-[(1-propylimidazol-2-yl)methyl]cyclobutyl]methyl]propan-1-amine

2-methyl-N-[[2-[(1-propylimidazol-2-yl)methyl]cyclobutyl]methyl]propan-1-amine (PubChem CID 81022292) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-methyl-N-[[2-[(1-propylimidazol-2-yl)methyl]cyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[(1-propylimidazol-2-yl)methyl]cyclobutyl]methyl]propan-1-amine
PubChem CID81022292
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-methyl-N-[[2-[(1-propylimidazol-2-yl)methyl]cyclobutyl]methyl]propan-1-amine
SMILESCCCn1ccnc1CC1CCC1CNCC(C)C
InChIInChI=1S/C16H29N3/c1-4-8-19-9-7-18-16(19)10-14-5-6-15(14)12-17-11-13(2)3/h7,9,13-15,17H,4-6,8,10-12H2,1-3H3
InChIKeyAIWIKESPERTNFX-UHFFFAOYSA-N
XLogP3.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(1-propylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine
CID 81025079
2-methyl-N-[[2-[(1-methylimidazol-2-yl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81025135
N-[[2-[(1-ethylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine
CID 81026464
2-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79760679
2-[(2-chlorocycloheptyl)methyl]-1-propylimidazole
CID 79762031
N-[[1-(2-cyclopentylethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 114191659
2-methyl-N-[[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81031393
N-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine
CID 62223232
N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81027307
N,4-dimethyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79752057
N-[[2-[(1-ethylimidazol-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81033575
N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine
CID 62957533

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[(1-propylimidazol-2-yl)methyl]cyclobutyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-[(1-propylimidazol-2-yl)methyl]cyclobutyl]methyl]propan-1-amine (CID 81022292) is 2-methyl-N-[[2-[(1-propylimidazol-2-yl)methyl]cyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-[(1-propylimidazol-2-yl)methyl]cyclobutyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-[(1-propylimidazol-2-yl)methyl]cyclobutyl]methyl]propan-1-amine is CCCn1ccnc1CC1CCC1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[2-[(1-propylimidazol-2-yl)methyl]cyclobutyl]methyl]propan-1-amine?
The InChIKey is AIWIKESPERTNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-8-19-9-7-18-16(19)10-14-5-6-15(14)12-17-11-13(2)3/h7,9,13-15,17H,4-6,8,10-12H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-[(1-propylimidazol-2-yl)methyl]cyclobutyl]methyl]propan-1-amine?
2-methyl-N-[[2-[(1-propylimidazol-2-yl)methyl]cyclobutyl]methyl]propan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[(1-propylimidazol-2-yl)methyl]cyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 81022292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).