N-[(1-cyclopropylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine

C13H21N3 — CID 115757332

IUPACN-[(1-cyclopropylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
SMILESCn1nccc1CNCC1(C2CC2)CCC1
InChIInChI=1S/C13H21N3/c1-16-12(5-8-15-16)9-14-10-13(6-2-7-13)11-3-4-11/h5,8,11,14H,2-4,6-7,9-10H2,1H3
InChIKeyBCSIBZXSEKLHKU-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.09
Rot. Bonds5

About N-[(1-cyclopropylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine

N-[(1-cyclopropylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine (PubChem CID 115757332) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
PubChem CID115757332
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[(1-cyclopropylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
SMILESCn1nccc1CNCC1(C2CC2)CCC1
InChIInChI=1S/C13H21N3/c1-16-12(5-8-15-16)9-14-10-13(6-2-7-13)11-3-4-11/h5,8,11,14H,2-4,6-7,9-10H2,1H3
InChIKeyBCSIBZXSEKLHKU-UHFFFAOYSA-N
XLogP2.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
The IUPAC name of N-[(1-cyclopropylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine (CID 115757332) is N-[(1-cyclopropylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[(1-cyclopropylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[(1-cyclopropylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine is Cn1nccc1CNCC1(C2CC2)CCC1.
What is the InChIKey of N-[(1-cyclopropylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
The InChIKey is BCSIBZXSEKLHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-16-12(5-8-15-16)9-14-10-13(6-2-7-13)11-3-4-11/h5,8,11,14H,2-4,6-7,9-10H2,1H3.
What are the key properties of N-[(1-cyclopropylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
N-[(1-cyclopropylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 115757332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).