N-[(4-ethylcyclohexyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine

C16H29N3 — CID 65395621

IUPACN-[(4-ethylcyclohexyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccnn1C)C1CCC(CC)CC1
InChIInChI=1S/C16H29N3/c1-4-11-17-16(15-10-12-18-19(15)3)14-8-6-13(5-2)7-9-14/h10,12-14,16-17H,4-9,11H2,1-3H3
InChIKeyRXSVXDWWYIQQLI-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.68
Rot. Bonds6

About N-[(4-ethylcyclohexyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine

N-[(4-ethylcyclohexyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 65395621) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID65395621
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[(4-ethylcyclohexyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccnn1C)C1CCC(CC)CC1
InChIInChI=1S/C16H29N3/c1-4-11-17-16(15-10-12-18-19(15)3)14-8-6-13(5-2)7-9-14/h10,12-14,16-17H,4-9,11H2,1-3H3
InChIKeyRXSVXDWWYIQQLI-UHFFFAOYSA-N
XLogP3.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 65412612
N-[(3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 63963526
N-[(4-methylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 63974485
3-cyclopropyl-1-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 105157948
N-[(2-methylpyrazol-3-yl)-(thiolan-2-yl)methyl]propan-1-amine
CID 80627643
N-[(2-methylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 105170255
N-[(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 65395611
[(2-methylpyrazol-3-yl)-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232404
4-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 106757689
N-[(2-ethylpyrazol-3-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 65334450
[cyclopentyl-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105204250
N-[(2,6-dimethyl-4-pyridinyl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 107504016

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-ethylcyclohexyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine (CID 65395621) is N-[(4-ethylcyclohexyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-ethylcyclohexyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine is CCCNC(c1ccnn1C)C1CCC(CC)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is RXSVXDWWYIQQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-11-17-16(15-10-12-18-19(15)3)14-8-6-13(5-2)7-9-14/h10,12-14,16-17H,4-9,11H2,1-3H3.
What are the key properties of N-[(4-ethylcyclohexyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine?
N-[(4-ethylcyclohexyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 65395621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).