N-[[2-tert-butyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine;hydrochloride

C15H29ClN4 — CID 154912040

IUPACN-[[2-tert-butyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine;hydrochloride
SMILESCCC(C)Cc1nc(CNC2CC2)n(C(C)(C)C)n1.Cl
InChIInChI=1S/C15H28N4.ClH/c1-6-11(2)9-13-17-14(10-16-12-7-8-12)19(18-13)15(3,4)5;/h11-12,16H,6-10H2,1-5H3;1H
InChIKeyDFPZWDKDUJJVJH-UHFFFAOYSA-N
MW300.88 g/mol
LogP3.30
Rot. Bonds6

About N-[[2-tert-butyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine;hydrochloride

N-[[2-tert-butyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine;hydrochloride (PubChem CID 154912040) has the molecular formula C15H29ClN4 and a molecular weight of 300.88 g/mol. Its IUPAC name is N-[[2-tert-butyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine;hydrochloride.

Molecular Properties

Compound NameN-[[2-tert-butyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine;hydrochloride
PubChem CID154912040
Molecular FormulaC15H29ClN4
Molecular Weight300.88 g/mol
Exact Mass300.21
IUPAC NameN-[[2-tert-butyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine;hydrochloride
SMILESCCC(C)Cc1nc(CNC2CC2)n(C(C)(C)C)n1.Cl
InChIInChI=1S/C15H28N4.ClH/c1-6-11(2)9-13-17-14(10-16-12-7-8-12)19(18-13)15(3,4)5;/h11-12,16H,6-10H2,1-5H3;1H
InChIKeyDFPZWDKDUJJVJH-UHFFFAOYSA-N
XLogP3.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.88
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine
CID 107447429
N-[(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopropanamine
CID 62720879
4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 109479351
N-(4-methylhexyl)cyclopropanamine
CID 62529631
N-[(5-pentan-2-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine
CID 102985820
N-butan-2-yl-4-tert-butyl-5-[(cyclopropylamino)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 62767959
N-[(1-ethyl-5-methylimidazol-2-yl)methyl]cyclopropanamine
CID 117188466
N-[(1-butan-2-ylindol-7-yl)methyl]cyclopropanamine
CID 79444404
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 62280084
N-[[1-(3-methylbutan-2-yl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62737264
N-[[1-(2,2-dimethylpropyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62761510
N-[2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)ethyl]cyclopropanamine
CID 79219679

Frequently Asked Questions

What is the IUPAC name of N-[[2-tert-butyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine;hydrochloride?
The IUPAC name of N-[[2-tert-butyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine;hydrochloride (CID 154912040) is N-[[2-tert-butyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine;hydrochloride.
What is the SMILES notation for N-[[2-tert-butyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine;hydrochloride?
The canonical SMILES for N-[[2-tert-butyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine;hydrochloride is CCC(C)Cc1nc(CNC2CC2)n(C(C)(C)C)n1.Cl.
What is the InChIKey of N-[[2-tert-butyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine;hydrochloride?
The InChIKey is DFPZWDKDUJJVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4.ClH/c1-6-11(2)9-13-17-14(10-16-12-7-8-12)19(18-13)15(3,4)5;/h11-12,16H,6-10H2,1-5H3;1H.
What are the key properties of N-[[2-tert-butyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine;hydrochloride?
N-[[2-tert-butyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine;hydrochloride has a molecular weight of 300.88 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-tert-butyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine;hydrochloride is sourced from PubChem (CID 154912040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).