N-[4-(1,2,4-triazol-4-yl)butyl]cyclopentanamine

C11H20N4 — CID 115656536

IUPACN-[4-(1,2,4-triazol-4-yl)butyl]cyclopentanamine
SMILESc1nncn1CCCCNC1CCCC1
InChIInChI=1S/C11H20N4/c1-2-6-11(5-1)12-7-3-4-8-15-9-13-14-10-15/h9-12H,1-8H2
InChIKeyIWOPFHFWGUMFHC-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.59
Rot. Bonds6

About N-[4-(1,2,4-triazol-4-yl)butyl]cyclopentanamine

N-[4-(1,2,4-triazol-4-yl)butyl]cyclopentanamine (PubChem CID 115656536) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[4-(1,2,4-triazol-4-yl)butyl]cyclopentanamine.

Molecular Properties

Compound NameN-[4-(1,2,4-triazol-4-yl)butyl]cyclopentanamine
PubChem CID115656536
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-[4-(1,2,4-triazol-4-yl)butyl]cyclopentanamine
SMILESc1nncn1CCCCNC1CCCC1
InChIInChI=1S/C11H20N4/c1-2-6-11(5-1)12-7-3-4-8-15-9-13-14-10-15/h9-12H,1-8H2
InChIKeyIWOPFHFWGUMFHC-UHFFFAOYSA-N
XLogP1.59
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1,2,4-triazol-4-yl)butyl]cyclohexanamine
CID 115656537
N-(4-imidazol-1-ylbutyl)-4,4-dimethylcycloheptan-1-amine
CID 65083611
N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
CID 3029604
N-[4-(2-methylimidazol-1-yl)butyl]cyclopentanamine
CID 115654607
ethyl 1-[3-(cyclohexylamino)propyl]imidazole-4-carboxylate
CID 12025017
N-(4-imidazol-1-ylbutyl)-1-propan-2-ylazepan-4-amine
CID 65073591
N-[3-(4,5-dimethylimidazol-1-yl)propyl]cyclopentanamine
CID 62564881
2-[4-(cyclopentylamino)butyl]isoindole-1,3-dione
CID 119156682
N-(3-imidazol-1-ylpropyl)oxan-4-amine
CID 43608608
N-[3-(2,2,6,6-tetramethylmorpholin-4-yl)propyl]cyclopentanamine
CID 102746140
N'-cycloheptylbutane-1,4-diamine
CID 60894157
N-(4-imidazol-1-ylbutyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758617

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2,4-triazol-4-yl)butyl]cyclopentanamine?
The IUPAC name of N-[4-(1,2,4-triazol-4-yl)butyl]cyclopentanamine (CID 115656536) is N-[4-(1,2,4-triazol-4-yl)butyl]cyclopentanamine.
What is the SMILES notation for N-[4-(1,2,4-triazol-4-yl)butyl]cyclopentanamine?
The canonical SMILES for N-[4-(1,2,4-triazol-4-yl)butyl]cyclopentanamine is c1nncn1CCCCNC1CCCC1.
What is the InChIKey of N-[4-(1,2,4-triazol-4-yl)butyl]cyclopentanamine?
The InChIKey is IWOPFHFWGUMFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-2-6-11(5-1)12-7-3-4-8-15-9-13-14-10-15/h9-12H,1-8H2.
What are the key properties of N-[4-(1,2,4-triazol-4-yl)butyl]cyclopentanamine?
N-[4-(1,2,4-triazol-4-yl)butyl]cyclopentanamine has a molecular weight of 208.31 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2,4-triazol-4-yl)butyl]cyclopentanamine is sourced from PubChem (CID 115656536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).