N-[2-cyclopropyl-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine

C13H22N4 — CID 83159530

IUPACN-[2-cyclopropyl-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine
SMILESCn1ncnc1CC(C)(CNC1CC1)C1CC1
InChIInChI=1S/C13H22N4/c1-13(10-3-4-10,8-14-11-5-6-11)7-12-15-9-16-17(12)2/h9-11,14H,3-8H2,1-2H3
InChIKeyMWTARDLHEIOVSY-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.53
Rot. Bonds6

About N-[2-cyclopropyl-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine

N-[2-cyclopropyl-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine (PubChem CID 83159530) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-[2-cyclopropyl-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-cyclopropyl-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine
PubChem CID83159530
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-[2-cyclopropyl-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine
SMILESCn1ncnc1CC(C)(CNC1CC1)C1CC1
InChIInChI=1S/C13H22N4/c1-13(10-3-4-10,8-14-11-5-6-11)7-12-15-9-16-17(12)2/h9-11,14H,3-8H2,1-2H3
InChIKeyMWTARDLHEIOVSY-UHFFFAOYSA-N
XLogP1.53
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 83160366
N-[3,3-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)butyl]cyclopropanamine
CID 81023570
N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 83159712
N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptanamine
CID 115689877
N-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine
CID 107447429
2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-amine
CID 83150659
N-[3-(4-bromophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
CID 83160159
2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 64673278
N-(2-cyclopropyl-2-methylbutyl)cyclopropanamine
CID 83160155
N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66402782
N-(2-cyclopropyl-2-methyl-3-trimethylsilylpropyl)cyclopropanamine
CID 106323909
N-[3-(1-cyclopentylpyrazol-3-yl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
CID 83150502

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine?
The IUPAC name of N-[2-cyclopropyl-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine (CID 83159530) is N-[2-cyclopropyl-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-cyclopropyl-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-cyclopropyl-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine is Cn1ncnc1CC(C)(CNC1CC1)C1CC1.
What is the InChIKey of N-[2-cyclopropyl-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine?
The InChIKey is MWTARDLHEIOVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-13(10-3-4-10,8-14-11-5-6-11)7-12-15-9-16-17(12)2/h9-11,14H,3-8H2,1-2H3.
What are the key properties of N-[2-cyclopropyl-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine?
N-[2-cyclopropyl-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine has a molecular weight of 234.35 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine is sourced from PubChem (CID 83159530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).