1-(3-bicyclo[3.1.0]hexanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine

C13H21N3 — CID 103029830

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCn1cc(CCC(N)C2CC3CC3C2)cn1
InChIInChI=1S/C13H21N3/c1-16-8-9(7-15-16)2-3-13(14)12-5-10-4-11(10)6-12/h7-8,10-13H,2-6,14H2,1H3
InChIKeyKFLHLNPTMQRHGW-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.73
Rot. Bonds4

About 1-(3-bicyclo[3.1.0]hexanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine

1-(3-bicyclo[3.1.0]hexanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 103029830) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID103029830
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCn1cc(CCC(N)C2CC3CC3C2)cn1
InChIInChI=1S/C13H21N3/c1-16-8-9(7-15-16)2-3-13(14)12-5-10-4-11(10)6-12/h7-8,10-13H,2-6,14H2,1H3
InChIKeyKFLHLNPTMQRHGW-UHFFFAOYSA-N
XLogP1.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-bicyclo[3.1.0]hexanyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103025847
1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103012100
3-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103030057
1-(1,4-dimethyl-1,4-diazepan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011964
4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole
CID 63358314
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027909
1-(5,6-dimethyl-1,4-dithian-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103345602
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029639
1-(3-bicyclo[3.1.0]hexanyl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822637
1-(1,3-dioxolan-2-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103544205
1-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103010749
1-cyclopropyl-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 63354994

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine (CID 103029830) is 1-(3-bicyclo[3.1.0]hexanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine is Cn1cc(CCC(N)C2CC3CC3C2)cn1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is KFLHLNPTMQRHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-16-8-9(7-15-16)2-3-13(14)12-5-10-4-11(10)6-12/h7-8,10-13H,2-6,14H2,1H3.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
1-(3-bicyclo[3.1.0]hexanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 103029830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).