N-[(1-tert-butyltriazol-4-yl)methyl]-1-methylcyclopentan-1-amine

C13H24N4 — CID 103398984

IUPACN-[(1-tert-butyltriazol-4-yl)methyl]-1-methylcyclopentan-1-amine
SMILESCC1(NCc2cn(C(C)(C)C)nn2)CCCC1
InChIInChI=1S/C13H24N4/c1-12(2,3)17-10-11(15-16-17)9-14-13(4)7-5-6-8-13/h10,14H,5-9H2,1-4H3
InChIKeyXMZWTRYLTGUQDW-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.46
Rot. Bonds3

About N-[(1-tert-butyltriazol-4-yl)methyl]-1-methylcyclopentan-1-amine

N-[(1-tert-butyltriazol-4-yl)methyl]-1-methylcyclopentan-1-amine (PubChem CID 103398984) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(1-tert-butyltriazol-4-yl)methyl]-1-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(1-tert-butyltriazol-4-yl)methyl]-1-methylcyclopentan-1-amine
PubChem CID103398984
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[(1-tert-butyltriazol-4-yl)methyl]-1-methylcyclopentan-1-amine
SMILESCC1(NCc2cn(C(C)(C)C)nn2)CCCC1
InChIInChI=1S/C13H24N4/c1-12(2,3)17-10-11(15-16-17)9-14-13(4)7-5-6-8-13/h10,14H,5-9H2,1-4H3
InChIKeyXMZWTRYLTGUQDW-UHFFFAOYSA-N
XLogP2.46
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 124680879
1-(1-tert-butyltriazol-4-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 103527503
N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine
CID 103398443
N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine
CID 103399314
N-[(1-tert-butyltriazol-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103399091
N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropylpropan-2-amine
CID 103527388
4-methyl-N-[(1-methyltriazol-4-yl)methyl]oxan-4-amine
CID 115758120
2-[(1-tert-butyltriazol-4-yl)methylamino]-2-ethylbutan-1-ol
CID 103399061
N-[(1-tert-butyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 103399289
(1R)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-cycloheptylethanamine
CID 103399276
N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 67952412
N-[(1-tert-butyltriazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine
CID 161032604

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-1-methylcyclopentan-1-amine?
The IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-1-methylcyclopentan-1-amine (CID 103398984) is N-[(1-tert-butyltriazol-4-yl)methyl]-1-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(1-tert-butyltriazol-4-yl)methyl]-1-methylcyclopentan-1-amine?
The canonical SMILES for N-[(1-tert-butyltriazol-4-yl)methyl]-1-methylcyclopentan-1-amine is CC1(NCc2cn(C(C)(C)C)nn2)CCCC1.
What is the InChIKey of N-[(1-tert-butyltriazol-4-yl)methyl]-1-methylcyclopentan-1-amine?
The InChIKey is XMZWTRYLTGUQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-12(2,3)17-10-11(15-16-17)9-14-13(4)7-5-6-8-13/h10,14H,5-9H2,1-4H3.
What are the key properties of N-[(1-tert-butyltriazol-4-yl)methyl]-1-methylcyclopentan-1-amine?
N-[(1-tert-butyltriazol-4-yl)methyl]-1-methylcyclopentan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butyltriazol-4-yl)methyl]-1-methylcyclopentan-1-amine is sourced from PubChem (CID 103398984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).