N-[[3-[2-(2-methylpyrazol-3-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine

C16H25N3 — CID 103014764

IUPACN-[[3-[2-(2-methylpyrazol-3-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine
SMILESCn1nccc1CCC1(CNC2CC2)CC2CC2C1
InChIInChI=1S/C16H25N3/c1-19-15(5-7-18-19)4-6-16(11-17-14-2-3-14)9-12-8-13(12)10-16/h5,7,12-14,17H,2-4,6,8-11H2,1H3
InChIKeyXYYHSIOEUDCANR-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.52
Rot. Bonds6

About N-[[3-[2-(2-methylpyrazol-3-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine

N-[[3-[2-(2-methylpyrazol-3-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine (PubChem CID 103014764) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[[3-[2-(2-methylpyrazol-3-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[2-(2-methylpyrazol-3-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine
PubChem CID103014764
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[[3-[2-(2-methylpyrazol-3-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine
SMILESCn1nccc1CCC1(CNC2CC2)CC2CC2C1
InChIInChI=1S/C16H25N3/c1-19-15(5-7-18-19)4-6-16(11-17-14-2-3-14)9-12-8-13(12)10-16/h5,7,12-14,17H,2-4,6,8-11H2,1H3
InChIKeyXYYHSIOEUDCANR-UHFFFAOYSA-N
XLogP2.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-[2-(2-methylpyrazol-3-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine with MolForge

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Related Compounds

3-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[3.1.0]hexane-3-carboxylic acid
CID 103005116
N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropyl]methyl]propan-2-amine
CID 103014617
5-[2-[1-(bromomethyl)cyclopropyl]ethyl]-1-methylpyrazole
CID 103018381
4,4-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 104694248
4-N-[(2-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 62320335
N-methyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 103011730
3-[2-(2-methylpyrazol-3-yl)ethyl]-N-propylcyclopentan-1-amine
CID 103015900
N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 103014466
N-[2-[3,5-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine
CID 103015727
N-[[4-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-yl]methyl]propan-1-amine
CID 103014575
3,3,5-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 104694448
1-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine
CID 104694957

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(2-methylpyrazol-3-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[2-(2-methylpyrazol-3-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine (CID 103014764) is N-[[3-[2-(2-methylpyrazol-3-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[2-(2-methylpyrazol-3-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[2-(2-methylpyrazol-3-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine is Cn1nccc1CCC1(CNC2CC2)CC2CC2C1.
What is the InChIKey of N-[[3-[2-(2-methylpyrazol-3-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine?
The InChIKey is XYYHSIOEUDCANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-19-15(5-7-18-19)4-6-16(11-17-14-2-3-14)9-12-8-13(12)10-16/h5,7,12-14,17H,2-4,6,8-11H2,1H3.
What are the key properties of N-[[3-[2-(2-methylpyrazol-3-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine?
N-[[3-[2-(2-methylpyrazol-3-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine has a molecular weight of 259.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(2-methylpyrazol-3-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine is sourced from PubChem (CID 103014764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).