1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine

C16H30N4 — CID 61438543

IUPAC1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(CN)(N(C)Cc2cnn(C)c2)CC1
InChIInChI=1S/C16H30N4/c1-4-5-14-6-8-16(13-17,9-7-14)19(2)11-15-10-18-20(3)12-15/h10,12,14H,4-9,11,13,17H2,1-3H3
InChIKeyNKKZAYUHNFYXLU-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.54
Rot. Bonds6

About 1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine

1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine (PubChem CID 61438543) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine
PubChem CID61438543
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(CN)(N(C)Cc2cnn(C)c2)CC1
InChIInChI=1S/C16H30N4/c1-4-5-14-6-8-16(13-17,9-7-14)19(2)11-15-10-18-20(3)12-15/h10,12,14H,4-9,11,13,17H2,1-3H3
InChIKeyNKKZAYUHNFYXLU-UHFFFAOYSA-N
XLogP2.54
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 79521086
1-(aminomethyl)-4-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylcyclohexan-1-amine
CID 62125809
1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 60916311
1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 63473105
1-(aminomethyl)-N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62128099
1-(aminomethyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 61438311
1-(aminomethyl)-N-methyl-4-propyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
CID 63206903
1-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-4-propylcyclohexan-1-amine
CID 62861295
3-(aminomethyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]thian-3-amine
CID 79952313
1-(1-methylpyrazol-4-yl)-4-propylcycloheptan-1-amine
CID 65086253
1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-propylcycloheptan-1-amine
CID 65089385
2-(1-methylpyrazol-4-yl)-1-(4-propylcyclohexyl)ethanone
CID 65423483

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine (CID 61438543) is 1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine is CCCC1CCC(CN)(N(C)Cc2cnn(C)c2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine?
The InChIKey is NKKZAYUHNFYXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-4-5-14-6-8-16(13-17,9-7-14)19(2)11-15-10-18-20(3)12-15/h10,12,14H,4-9,11,13,17H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine?
1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 61438543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).