1-(aminomethyl)-N-ethyl-N-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-amine

C15H28N4 — CID 82866592

IUPAC1-(aminomethyl)-N-ethyl-N-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-amine
SMILESCCN(Cc1ccn(C)n1)C1(CN)CCCCCC1
InChIInChI=1S/C15H28N4/c1-3-19(12-14-8-11-18(2)17-14)15(13-16)9-6-4-5-7-10-15/h8,11H,3-7,9-10,12-13,16H2,1-2H3
InChIKeyXRUKTSQPJKDKFL-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.29
Rot. Bonds5

About 1-(aminomethyl)-N-ethyl-N-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-amine

1-(aminomethyl)-N-ethyl-N-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-amine (PubChem CID 82866592) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-amine
PubChem CID82866592
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-(aminomethyl)-N-ethyl-N-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-amine
SMILESCCN(Cc1ccn(C)n1)C1(CN)CCCCCC1
InChIInChI=1S/C15H28N4/c1-3-19(12-14-8-11-18(2)17-14)15(13-16)9-6-4-5-7-10-15/h8,11H,3-7,9-10,12-13,16H2,1-2H3
InChIKeyXRUKTSQPJKDKFL-UHFFFAOYSA-N
XLogP2.29
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-ethyl-N-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 82867122
1-(aminomethyl)-N-ethyl-N-[(4-ethylphenyl)methyl]cycloheptan-1-amine
CID 63480828
[1-[(1-methylpyrazol-3-yl)methyl]cyclooctyl]methanamine
CID 82870564
1-(aminomethyl)-N,N-diethylcyclododecan-1-amine
CID 29278476
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)cyclooctan-1-amine
CID 61423746
1-(aminomethyl)-N-ethyl-N-(2-pyrazol-1-ylethyl)cycloheptan-1-amine
CID 62010529
[1-[(1-methylpyrazol-3-yl)methyl]cyclobutyl]methanamine
CID 82871669
1-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 114527359
1-(aminomethyl)-N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 64772866
1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 62010146
1-methyl-1-[(1-methylpyrazol-3-yl)methyl]hydrazine
CID 123416642
N'-ethyl-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 82865963

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-amine (CID 82866592) is 1-(aminomethyl)-N-ethyl-N-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-amine is CCN(Cc1ccn(C)n1)C1(CN)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-amine?
The InChIKey is XRUKTSQPJKDKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-3-19(12-14-8-11-18(2)17-14)15(13-16)9-6-4-5-7-10-15/h8,11H,3-7,9-10,12-13,16H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-amine?
1-(aminomethyl)-N-ethyl-N-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-[(1-methylpyrazol-3-yl)methyl]cycloheptan-1-amine is sourced from PubChem (CID 82866592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).