(1S)-1-cyclopropyl-1-[4-(2-methylpropyl)phenyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine

C17H25N5 — CID 124626256

IUPAC(1S)-1-cyclopropyl-1-[4-(2-methylpropyl)phenyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine
SMILESCC(C)Cc1ccc([C@@H](NCc2nnn(C)n2)C2CC2)cc1
InChIInChI=1S/C17H25N5/c1-12(2)10-13-4-6-14(7-5-13)17(15-8-9-15)18-11-16-19-21-22(3)20-16/h4-7,12,15,17-18H,8-11H2,1-3H3/t17-/m1/s1
InChIKeyHIBJZOHVRZSGOR-QGZVFWFLSA-N
MW299.42 g/mol
LogP2.65
Rot. Bonds7

About (1S)-1-cyclopropyl-1-[4-(2-methylpropyl)phenyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine

(1S)-1-cyclopropyl-1-[4-(2-methylpropyl)phenyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine (PubChem CID 124626256) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is (1S)-1-cyclopropyl-1-[4-(2-methylpropyl)phenyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name(1S)-1-cyclopropyl-1-[4-(2-methylpropyl)phenyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine
PubChem CID124626256
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name(1S)-1-cyclopropyl-1-[4-(2-methylpropyl)phenyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine
SMILESCC(C)Cc1ccc([C@@H](NCc2nnn(C)n2)C2CC2)cc1
InChIInChI=1S/C17H25N5/c1-12(2)10-13-4-6-14(7-5-13)17(15-8-9-15)18-11-16-19-21-22(3)20-16/h4-7,12,15,17-18H,8-11H2,1-3H3/t17-/m1/s1
InChIKeyHIBJZOHVRZSGOR-QGZVFWFLSA-N
XLogP2.65
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopropyl-1-[4-(2-methylpropyl)phenyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine?
The IUPAC name of (1S)-1-cyclopropyl-1-[4-(2-methylpropyl)phenyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine (CID 124626256) is (1S)-1-cyclopropyl-1-[4-(2-methylpropyl)phenyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine.
What is the SMILES notation for (1S)-1-cyclopropyl-1-[4-(2-methylpropyl)phenyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine?
The canonical SMILES for (1S)-1-cyclopropyl-1-[4-(2-methylpropyl)phenyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine is CC(C)Cc1ccc([C@@H](NCc2nnn(C)n2)C2CC2)cc1.
What is the InChIKey of (1S)-1-cyclopropyl-1-[4-(2-methylpropyl)phenyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine?
The InChIKey is HIBJZOHVRZSGOR-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H25N5/c1-12(2)10-13-4-6-14(7-5-13)17(15-8-9-15)18-11-16-19-21-22(3)20-16/h4-7,12,15,17-18H,8-11H2,1-3H3/t17-/m1/s1.
What are the key properties of (1S)-1-cyclopropyl-1-[4-(2-methylpropyl)phenyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine?
(1S)-1-cyclopropyl-1-[4-(2-methylpropyl)phenyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine has a molecular weight of 299.42 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopropyl-1-[4-(2-methylpropyl)phenyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine is sourced from PubChem (CID 124626256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).