2-methyl-N-[[3-[(1-methylpyrazol-3-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine

C16H27N3 — CID 82872012

IUPAC2-methyl-N-[[3-[(1-methylpyrazol-3-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine
SMILESCC(C)CNCC1(Cc2ccn(C)n2)CC2CC2C1
InChIInChI=1S/C16H27N3/c1-12(2)10-17-11-16(7-13-6-14(13)8-16)9-15-4-5-19(3)18-15/h4-5,12-14,17H,6-11H2,1-3H3
InChIKeyVPBBPQOVCXMWEE-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.62
Rot. Bonds6

About 2-methyl-N-[[3-[(1-methylpyrazol-3-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine

2-methyl-N-[[3-[(1-methylpyrazol-3-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine (PubChem CID 82872012) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-methyl-N-[[3-[(1-methylpyrazol-3-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[(1-methylpyrazol-3-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine
PubChem CID82872012
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-methyl-N-[[3-[(1-methylpyrazol-3-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine
SMILESCC(C)CNCC1(Cc2ccn(C)n2)CC2CC2C1
InChIInChI=1S/C16H27N3/c1-12(2)10-17-11-16(7-13-6-14(13)8-16)9-15-4-5-19(3)18-15/h4-5,12-14,17H,6-11H2,1-3H3
InChIKeyVPBBPQOVCXMWEE-UHFFFAOYSA-N
XLogP2.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[[3-[(1-methylpyrazol-3-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine with MolForge

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Related Compounds

1-methyl-3-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole
CID 82882511
1-(2-methylpropylamino)-3-(1-methylpyrazol-3-yl)propan-2-ol
CID 82871126
3-[(3-ethylazetidin-3-yl)methyl]-1-methylpyrazole
CID 82882602
[1-[(1-methylpyrazol-3-yl)methyl]cyclobutyl]methanamine
CID 82871669
2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 83159454
[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentyl]methanamine
CID 82871482
2-methyl-N-[[1-[(1-methyltriazol-4-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 107053273
4-(methylaminomethyl)-4-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 112745382
3-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole
CID 82872091
2-methyl-N-[3-(1-methylpyrazol-3-yl)-2-phenylpropyl]propan-1-amine
CID 82871053
1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
CID 82870094
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82871684

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[(1-methylpyrazol-3-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-[(1-methylpyrazol-3-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine (CID 82872012) is 2-methyl-N-[[3-[(1-methylpyrazol-3-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-[(1-methylpyrazol-3-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-[(1-methylpyrazol-3-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine is CC(C)CNCC1(Cc2ccn(C)n2)CC2CC2C1.
What is the InChIKey of 2-methyl-N-[[3-[(1-methylpyrazol-3-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine?
The InChIKey is VPBBPQOVCXMWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12(2)10-17-11-16(7-13-6-14(13)8-16)9-15-4-5-19(3)18-15/h4-5,12-14,17H,6-11H2,1-3H3.
What are the key properties of 2-methyl-N-[[3-[(1-methylpyrazol-3-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine?
2-methyl-N-[[3-[(1-methylpyrazol-3-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[(1-methylpyrazol-3-yl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine is sourced from PubChem (CID 82872012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).