N-ethyl-4-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine

C11H22N4 — CID 114690474

IUPACN-ethyl-4-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine
SMILESCCNC(C)CC(C)(C)c1cnnn1C
InChIInChI=1S/C11H22N4/c1-6-12-9(2)7-11(3,4)10-8-13-14-15(10)5/h8-9,12H,6-7H2,1-5H3
InChIKeyMWHVNEUZCONVFV-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.48
Rot. Bonds5

About N-ethyl-4-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine

N-ethyl-4-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine (PubChem CID 114690474) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N-ethyl-4-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine
PubChem CID114690474
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN-ethyl-4-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine
SMILESCCNC(C)CC(C)(C)c1cnnn1C
InChIInChI=1S/C11H22N4/c1-6-12-9(2)7-11(3,4)10-8-13-14-15(10)5/h8-9,12H,6-7H2,1-5H3
InChIKeyMWHVNEUZCONVFV-UHFFFAOYSA-N
XLogP1.48
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methyltriazol-4-yl)-1-(propan-2-ylamino)propan-2-ol
CID 114691275
N-ethyl-4-methyl-4-(2-propylpyrazol-3-yl)pentan-2-amine
CID 64715540
N-ethyl-3,5,5-trimethyl-1-(3-methyltriazol-4-yl)hexan-1-amine
CID 105043720
N-[3-methyl-3-(3-methyltriazol-4-yl)butyl]cyclopropanamine
CID 114691509
N-ethyl-4-methyl-1-(3-methyltriazol-4-yl)pentan-3-amine
CID 114690406
N-ethyl-4-methyl-4-(2-phenylpyrazol-3-yl)pentan-2-amine
CID 107331269
N-ethyl-4-methyl-4-pyrazin-2-ylpentan-2-amine
CID 64718077
N-ethyl-3-methyltriazol-4-amine
CID 130486129
4,4-dimethoxy-2-(3-methyltriazol-4-yl)butan-2-ol
CID 114685140
4-(3,4-dimethylphenyl)-N-ethyl-4-methylpentan-2-amine
CID 64715126
[3,3-dimethyl-1-(3-methyltriazol-4-yl)butyl]hydrazine
CID 105220254
N-ethyl-4-methyl-4-(4-propan-2-ylphenyl)pentan-2-amine
CID 64716808

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine?
The IUPAC name of N-ethyl-4-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine (CID 114690474) is N-ethyl-4-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-4-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine is CCNC(C)CC(C)(C)c1cnnn1C.
What is the InChIKey of N-ethyl-4-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine?
The InChIKey is MWHVNEUZCONVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-6-12-9(2)7-11(3,4)10-8-13-14-15(10)5/h8-9,12H,6-7H2,1-5H3.
What are the key properties of N-ethyl-4-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine?
N-ethyl-4-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine has a molecular weight of 210.32 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine is sourced from PubChem (CID 114690474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).