N-[(1-ethoxycycloheptyl)-(1-methylimidazol-2-yl)methyl]ethanamine

C16H29N3O — CID 116770958

IUPACN-[(1-ethoxycycloheptyl)-(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCCNC(c1nccn1C)C1(OCC)CCCCCC1
InChIInChI=1S/C16H29N3O/c1-4-17-14(15-18-12-13-19(15)3)16(20-5-2)10-8-6-7-9-11-16/h12-14,17H,4-11H2,1-3H3
InChIKeyFEYXUTNVVQEJFS-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.20
Rot. Bonds6

About N-[(1-ethoxycycloheptyl)-(1-methylimidazol-2-yl)methyl]ethanamine

N-[(1-ethoxycycloheptyl)-(1-methylimidazol-2-yl)methyl]ethanamine (PubChem CID 116770958) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[(1-ethoxycycloheptyl)-(1-methylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethoxycycloheptyl)-(1-methylimidazol-2-yl)methyl]ethanamine
PubChem CID116770958
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[(1-ethoxycycloheptyl)-(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCCNC(c1nccn1C)C1(OCC)CCCCCC1
InChIInChI=1S/C16H29N3O/c1-4-17-14(15-18-12-13-19(15)3)16(20-5-2)10-8-6-7-9-11-16/h12-14,17H,4-11H2,1-3H3
InChIKeyFEYXUTNVVQEJFS-UHFFFAOYSA-N
XLogP3.20
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1-ethoxycyclohexyl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105276310
N-[(1-ethoxy-4-methylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 116767387
N-[(4-ethoxyoxan-4-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 116765818
N-[(4-ethoxyoxan-4-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 116765859
N,N-diethyl-1-[ethylamino-(1-methylimidazol-2-yl)methyl]cyclopentan-1-amine
CID 79070501
N-[(1-ethoxycyclohexyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 116764059
[(1-ethoxycyclopentyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105275723
(1-ethoxycycloheptyl)-(1-ethylimidazol-2-yl)methanol
CID 116756208
N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine
CID 116771044
N-[(1-ethoxycyclopentyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 116762281
1-(1-ethoxycycloheptyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529884
N-[(1-ethoxycyclopentyl)-phenylmethyl]ethanamine
CID 116762125

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethoxycycloheptyl)-(1-methylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(1-ethoxycycloheptyl)-(1-methylimidazol-2-yl)methyl]ethanamine (CID 116770958) is N-[(1-ethoxycycloheptyl)-(1-methylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-ethoxycycloheptyl)-(1-methylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-ethoxycycloheptyl)-(1-methylimidazol-2-yl)methyl]ethanamine is CCNC(c1nccn1C)C1(OCC)CCCCCC1.
What is the InChIKey of N-[(1-ethoxycycloheptyl)-(1-methylimidazol-2-yl)methyl]ethanamine?
The InChIKey is FEYXUTNVVQEJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-17-14(15-18-12-13-19(15)3)16(20-5-2)10-8-6-7-9-11-16/h12-14,17H,4-11H2,1-3H3.
What are the key properties of N-[(1-ethoxycycloheptyl)-(1-methylimidazol-2-yl)methyl]ethanamine?
N-[(1-ethoxycycloheptyl)-(1-methylimidazol-2-yl)methyl]ethanamine has a molecular weight of 279.43 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethoxycycloheptyl)-(1-methylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 116770958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).