1-(aminomethyl)-N-ethyl-N-[(4-ethylphenyl)methyl]cycloheptan-1-amine

C19H32N2 — CID 63480828

IUPAC1-(aminomethyl)-N-ethyl-N-[(4-ethylphenyl)methyl]cycloheptan-1-amine
SMILESCCc1ccc(CN(CC)C2(CN)CCCCCC2)cc1
InChIInChI=1S/C19H32N2/c1-3-17-9-11-18(12-10-17)15-21(4-2)19(16-20)13-7-5-6-8-14-19/h9-12H,3-8,13-16,20H2,1-2H3
InChIKeyORRGGZUHSFBTIA-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.12
Rot. Bonds6

About 1-(aminomethyl)-N-ethyl-N-[(4-ethylphenyl)methyl]cycloheptan-1-amine

1-(aminomethyl)-N-ethyl-N-[(4-ethylphenyl)methyl]cycloheptan-1-amine (PubChem CID 63480828) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-[(4-ethylphenyl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-[(4-ethylphenyl)methyl]cycloheptan-1-amine
PubChem CID63480828
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-(aminomethyl)-N-ethyl-N-[(4-ethylphenyl)methyl]cycloheptan-1-amine
SMILESCCc1ccc(CN(CC)C2(CN)CCCCCC2)cc1
InChIInChI=1S/C19H32N2/c1-3-17-9-11-18(12-10-17)15-21(4-2)19(16-20)13-7-5-6-8-14-19/h9-12H,3-8,13-16,20H2,1-2H3
InChIKeyORRGGZUHSFBTIA-UHFFFAOYSA-N
XLogP4.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-ethyl-N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 63485980
1-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylcycloheptan-1-amine
CID 65088362
1-(aminomethyl)-N,N-diethylcyclododecan-1-amine
CID 29278476
1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 62010146
1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 62006198
1-(aminomethyl)-N-benzyl-N-propylcycloheptan-1-amine
CID 63480657
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)cyclooctan-1-amine
CID 61423746
1-(aminomethyl)-N-ethyl-3-methyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 63487026
1-(aminomethyl)-N-ethyl-N-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-amine
CID 82866592
1-(aminomethyl)-N-ethyl-N-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 82867122
1-(aminomethyl)-N-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
CID 62004520
1-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
CID 62006924

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-[(4-ethylphenyl)methyl]cycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-[(4-ethylphenyl)methyl]cycloheptan-1-amine (CID 63480828) is 1-(aminomethyl)-N-ethyl-N-[(4-ethylphenyl)methyl]cycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-[(4-ethylphenyl)methyl]cycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-[(4-ethylphenyl)methyl]cycloheptan-1-amine is CCc1ccc(CN(CC)C2(CN)CCCCCC2)cc1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-[(4-ethylphenyl)methyl]cycloheptan-1-amine?
The InChIKey is ORRGGZUHSFBTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-3-17-9-11-18(12-10-17)15-21(4-2)19(16-20)13-7-5-6-8-14-19/h9-12H,3-8,13-16,20H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-[(4-ethylphenyl)methyl]cycloheptan-1-amine?
1-(aminomethyl)-N-ethyl-N-[(4-ethylphenyl)methyl]cycloheptan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-[(4-ethylphenyl)methyl]cycloheptan-1-amine is sourced from PubChem (CID 63480828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).