N-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1-prop-2-enylpyrazol-4-yl)methanamine

C16H27N3 — CID 131921128

IUPACN-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1-prop-2-enylpyrazol-4-yl)methanamine
SMILESC=CCn1cc(CNCC2(CC(C)C)CCC2)cn1
InChIInChI=1S/C16H27N3/c1-4-8-19-12-15(11-18-19)10-17-13-16(6-5-7-16)9-14(2)3/h4,11-12,14,17H,1,5-10,13H2,2-3H3
InChIKeyOOOANMSUQLXLFQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.38
Rot. Bonds8

About N-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1-prop-2-enylpyrazol-4-yl)methanamine

N-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1-prop-2-enylpyrazol-4-yl)methanamine (PubChem CID 131921128) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1-prop-2-enylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1-prop-2-enylpyrazol-4-yl)methanamine
PubChem CID131921128
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1-prop-2-enylpyrazol-4-yl)methanamine
SMILESC=CCn1cc(CNCC2(CC(C)C)CCC2)cn1
InChIInChI=1S/C16H27N3/c1-4-8-19-12-15(11-18-19)10-17-13-16(6-5-7-16)9-14(2)3/h4,11-12,14,17H,1,5-10,13H2,2-3H3
InChIKeyOOOANMSUQLXLFQ-UHFFFAOYSA-N
XLogP3.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-ethylcyclopentyl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine
CID 103766160
N-[(1-ethylcyclobutyl)methyl]-1-(1-propylpyrazol-4-yl)methanamine
CID 103741109
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(1-ethylpyrazol-4-yl)methanamine
CID 113359893
N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 103001679
N-[(1-ethylcyclopentyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 103766176
1-(1-benzylpyrazol-4-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 103743443
[1-[[(1-ethylpyrazol-4-yl)methylamino]methyl]cyclopropyl]methanol
CID 79479607
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194328
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine
CID 65194929
1-(1-ethylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 103753080
1-methyl-5-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]pyrazole-4-carboxylic acid
CID 116631379
4-ethyl-N-[(1-prop-2-enylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
CID 167893366

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1-prop-2-enylpyrazol-4-yl)methanamine?
The IUPAC name of N-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1-prop-2-enylpyrazol-4-yl)methanamine (CID 131921128) is N-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1-prop-2-enylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1-prop-2-enylpyrazol-4-yl)methanamine?
The canonical SMILES for N-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1-prop-2-enylpyrazol-4-yl)methanamine is C=CCn1cc(CNCC2(CC(C)C)CCC2)cn1.
What is the InChIKey of N-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1-prop-2-enylpyrazol-4-yl)methanamine?
The InChIKey is OOOANMSUQLXLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-8-19-12-15(11-18-19)10-17-13-16(6-5-7-16)9-14(2)3/h4,11-12,14,17H,1,5-10,13H2,2-3H3.
What are the key properties of N-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1-prop-2-enylpyrazol-4-yl)methanamine?
N-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1-prop-2-enylpyrazol-4-yl)methanamine has a molecular weight of 261.41 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)cyclobutyl]methyl]-1-(1-prop-2-enylpyrazol-4-yl)methanamine is sourced from PubChem (CID 131921128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).