N-[4-(1-methyltriazol-4-yl)butyl]cyclopropanamine

C10H18N4 — CID 107054857

IUPACN-[4-(1-methyltriazol-4-yl)butyl]cyclopropanamine
SMILESCn1cc(CCCCNC2CC2)nn1
InChIInChI=1S/C10H18N4/c1-14-8-10(12-13-14)4-2-3-7-11-9-5-6-9/h8-9,11H,2-7H2,1H3
InChIKeyWUFCTYSDWWROSZ-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.89
Rot. Bonds6

About N-[4-(1-methyltriazol-4-yl)butyl]cyclopropanamine

N-[4-(1-methyltriazol-4-yl)butyl]cyclopropanamine (PubChem CID 107054857) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N-[4-(1-methyltriazol-4-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(1-methyltriazol-4-yl)butyl]cyclopropanamine
PubChem CID107054857
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN-[4-(1-methyltriazol-4-yl)butyl]cyclopropanamine
SMILESCn1cc(CCCCNC2CC2)nn1
InChIInChI=1S/C10H18N4/c1-14-8-10(12-13-14)4-2-3-7-11-9-5-6-9/h8-9,11H,2-7H2,1H3
InChIKeyWUFCTYSDWWROSZ-UHFFFAOYSA-N
XLogP0.89
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.89
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

4-(1-methyltriazol-4-yl)-N-propylbutan-1-amine
CID 107054853
N-tert-butyl-4-(1-methyltriazol-4-yl)butan-1-amine
CID 107054859
4-chloro-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine
CID 107054010
4-N-methyl-4-N-[(1-methyltriazol-4-yl)methyl]-1-N-propylcyclohexane-1,4-diamine
CID 107040737
N-[5-[4-(aminomethyl)triazol-1-yl]pentyl]cyclopropanamine
CID 66338826
1-(cyclopropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057618
3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 107052835
1-(cyclopropylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057678
4-(3-bromopropyl)-1-methyltriazole
CID 107053634
N'-[2-(1-methyltriazol-4-yl)ethyl]ethane-1,2-diamine
CID 70457819
4-butyl-1-methyltriazole;methane;1-methyl-4-propyltriazole
CID 158259702
1-methyl-4-pent-4-ynyltriazole
CID 58281228

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methyltriazol-4-yl)butyl]cyclopropanamine?
The IUPAC name of N-[4-(1-methyltriazol-4-yl)butyl]cyclopropanamine (CID 107054857) is N-[4-(1-methyltriazol-4-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[4-(1-methyltriazol-4-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[4-(1-methyltriazol-4-yl)butyl]cyclopropanamine is Cn1cc(CCCCNC2CC2)nn1.
What is the InChIKey of N-[4-(1-methyltriazol-4-yl)butyl]cyclopropanamine?
The InChIKey is WUFCTYSDWWROSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-14-8-10(12-13-14)4-2-3-7-11-9-5-6-9/h8-9,11H,2-7H2,1H3.
What are the key properties of N-[4-(1-methyltriazol-4-yl)butyl]cyclopropanamine?
N-[4-(1-methyltriazol-4-yl)butyl]cyclopropanamine has a molecular weight of 194.28 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methyltriazol-4-yl)butyl]cyclopropanamine is sourced from PubChem (CID 107054857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).