N-[[2-(1-ethylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine

C16H29N3 — CID 81025106

IUPACN-[[2-(1-ethylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine
SMILESCCn1ccnc1C1CCCCCC1CNC(C)C
InChIInChI=1S/C16H29N3/c1-4-19-11-10-17-16(19)15-9-7-5-6-8-14(15)12-18-13(2)3/h10-11,13-15,18H,4-9,12H2,1-3H3
InChIKeyOAAOUNKEMFNUKA-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.56
Rot. Bonds5

About N-[[2-(1-ethylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine

N-[[2-(1-ethylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine (PubChem CID 81025106) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[[2-(1-ethylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-ethylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine
PubChem CID81025106
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[[2-(1-ethylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine
SMILESCCn1ccnc1C1CCCCCC1CNC(C)C
InChIInChI=1S/C16H29N3/c1-4-19-11-10-17-16(19)15-9-7-5-6-8-14(15)12-18-13(2)3/h10-11,13-15,18H,4-9,12H2,1-3H3
InChIKeyOAAOUNKEMFNUKA-UHFFFAOYSA-N
XLogP3.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(1-ethylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine (CID 81025106) is N-[[2-(1-ethylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(1-ethylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(1-ethylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine is CCn1ccnc1C1CCCCCC1CNC(C)C.
What is the InChIKey of N-[[2-(1-ethylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine?
The InChIKey is OAAOUNKEMFNUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-19-11-10-17-16(19)15-9-7-5-6-8-14(15)12-18-13(2)3/h10-11,13-15,18H,4-9,12H2,1-3H3.
What are the key properties of N-[[2-(1-ethylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine?
N-[[2-(1-ethylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine is sourced from PubChem (CID 81025106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).