N-[(2,2-dimethylcyclopropyl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-1-amine

C13H24N4 — CID 112744093

IUPACN-[(2,2-dimethylcyclopropyl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ncnn1CC)C1CC1(C)C
InChIInChI=1S/C13H24N4/c1-5-7-14-11(10-8-13(10,3)4)12-15-9-16-17(12)6-2/h9-11,14H,5-8H2,1-4H3
InChIKeyRCVRWBONTRFKBM-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.38
Rot. Bonds6

About N-[(2,2-dimethylcyclopropyl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-1-amine

N-[(2,2-dimethylcyclopropyl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-1-amine (PubChem CID 112744093) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopropyl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopropyl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
PubChem CID112744093
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[(2,2-dimethylcyclopropyl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ncnn1CC)C1CC1(C)C
InChIInChI=1S/C13H24N4/c1-5-7-14-11(10-8-13(10,3)4)12-15-9-16-17(12)6-2/h9-11,14H,5-8H2,1-4H3
InChIKeyRCVRWBONTRFKBM-UHFFFAOYSA-N
XLogP2.38
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2,2-dimethylcyclopropyl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[(2,2-dimethylcyclopropyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 107004989
N-[(2,2-dimethylcyclopropyl)-(4-ethoxyphenyl)methyl]propan-1-amine
CID 107001090
3-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-5-methylpyridin-2-amine
CID 114016560
N-[(3-chloro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107561829
N-[(2,2-dimethylcyclopropyl)-(furan-2-yl)methyl]propan-1-amine
CID 107001178
N-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106798051
[(4-butylcyclohexyl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]hydrazine
CID 112744361
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methyl]propan-1-amine
CID 107190949
N-[1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
CID 107004121
1-(1,3-dioxolan-2-yl)-3-(2-ethyl-1,2,4-triazol-3-yl)-N-propylpropan-2-amine
CID 103546912
N-[(3-bromo-5-methylthiophen-2-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107001275
N-[(4-bromo-5-methylthiophen-2-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107001441

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopropyl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,2-dimethylcyclopropyl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-1-amine (CID 112744093) is N-[(2,2-dimethylcyclopropyl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,2-dimethylcyclopropyl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,2-dimethylcyclopropyl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-1-amine is CCCNC(c1ncnn1CC)C1CC1(C)C.
What is the InChIKey of N-[(2,2-dimethylcyclopropyl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-1-amine?
The InChIKey is RCVRWBONTRFKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-5-7-14-11(10-8-13(10,3)4)12-15-9-16-17(12)6-2/h9-11,14H,5-8H2,1-4H3.
What are the key properties of N-[(2,2-dimethylcyclopropyl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-1-amine?
N-[(2,2-dimethylcyclopropyl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopropyl)-(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 112744093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).