N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-1-amine

C16H29N3 — CID 103014465

IUPACN-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(CCc2cnn(C)c2)CCCCC1
InChIInChI=1S/C16H29N3/c1-3-11-17-14-16(8-5-4-6-9-16)10-7-15-12-18-19(2)13-15/h12-13,17H,3-11,14H2,1-2H3
InChIKeyJFRLRXNPYGFIAU-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.30
Rot. Bonds7

About N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-1-amine

N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-1-amine (PubChem CID 103014465) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-1-amine
PubChem CID103014465
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(CCc2cnn(C)c2)CCCCC1
InChIInChI=1S/C16H29N3/c1-3-11-17-14-16(8-5-4-6-9-16)10-7-15-12-18-19(2)13-15/h12-13,17H,3-11,14H2,1-2H3
InChIKeyJFRLRXNPYGFIAU-UHFFFAOYSA-N
XLogP3.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]ethanamine
CID 103014463
2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-2-amine
CID 103014471
[1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclopentyl]methanol
CID 103001877
N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 103001679
N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]oxolan-3-yl]methyl]propan-1-amine
CID 103014849
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine
CID 65195044
N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 103014466
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62723772
N-[(1-methylcyclobutyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 106813065
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 55106549
1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103005734
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194443

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-1-amine (CID 103014465) is N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-1-amine is CCCNCC1(CCc2cnn(C)c2)CCCCC1.
What is the InChIKey of N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-1-amine?
The InChIKey is JFRLRXNPYGFIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-11-17-14-16(8-5-4-6-9-16)10-7-15-12-18-19(2)13-15/h12-13,17H,3-11,14H2,1-2H3.
What are the key properties of N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-1-amine?
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 103014465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).