N-[[2-[(1-propylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine

C17H31N3 — CID 81025079

IUPACN-[[2-[(1-propylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine
SMILESCCCn1ccnc1CC1CCCCCC1CNCC
InChIInChI=1S/C17H31N3/c1-3-11-20-12-10-19-17(20)13-15-8-6-5-7-9-16(15)14-18-4-2/h10,12,15-16,18H,3-9,11,13-14H2,1-2H3
InChIKeyJJLIHMNXCPPEKL-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.64
Rot. Bonds7

About N-[[2-[(1-propylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine

N-[[2-[(1-propylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine (PubChem CID 81025079) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-[[2-[(1-propylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(1-propylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine
PubChem CID81025079
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-[[2-[(1-propylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine
SMILESCCCn1ccnc1CC1CCCCCC1CNCC
InChIInChI=1S/C17H31N3/c1-3-11-20-12-10-19-17(20)13-15-8-6-5-7-9-16(15)14-18-4-2/h10,12,15-16,18H,3-9,11,13-14H2,1-2H3
InChIKeyJJLIHMNXCPPEKL-UHFFFAOYSA-N
XLogP3.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(1-ethylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine
CID 81026464
2-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79760679
2-methyl-N-[[2-[(1-propylimidazol-2-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81022292
2-[(2-chlorocycloheptyl)methyl]-1-propylimidazole
CID 79762031
N-[[2-[(1-ethylimidazol-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81033575
2-methyl-N-[[2-[(1-methylimidazol-2-yl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81025135
N-[(1-butylimidazol-2-yl)methyl]cyclohexanamine
CID 46784421
1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751471
N-[[2-(1,3-thiazol-2-ylmethyl)cycloheptyl]methyl]ethanamine
CID 81026356
1-cyclohexyl-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 105012316
3-methyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 62955948
N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine
CID 62957533

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(1-propylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(1-propylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine (CID 81025079) is N-[[2-[(1-propylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(1-propylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(1-propylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine is CCCn1ccnc1CC1CCCCCC1CNCC.
What is the InChIKey of N-[[2-[(1-propylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine?
The InChIKey is JJLIHMNXCPPEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-3-11-20-12-10-19-17(20)13-15-8-6-5-7-9-16(15)14-18-4-2/h10,12,15-16,18H,3-9,11,13-14H2,1-2H3.
What are the key properties of N-[[2-[(1-propylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine?
N-[[2-[(1-propylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine has a molecular weight of 277.46 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(1-propylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine is sourced from PubChem (CID 81025079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).