N-[5-[4-(aminomethyl)triazol-1-yl]pentyl]cyclopropanamine

C11H21N5 — CID 66338826

IUPACN-[5-[4-(aminomethyl)triazol-1-yl]pentyl]cyclopropanamine
SMILESNCc1cn(CCCCCNC2CC2)nn1
InChIInChI=1S/C11H21N5/c12-8-11-9-16(15-14-11)7-3-1-2-6-13-10-4-5-10/h9-10,13H,1-8,12H2
InChIKeyHOVNUEYBMYAKDQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.66
Rot. Bonds8

About N-[5-[4-(aminomethyl)triazol-1-yl]pentyl]cyclopropanamine

N-[5-[4-(aminomethyl)triazol-1-yl]pentyl]cyclopropanamine (PubChem CID 66338826) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[5-[4-(aminomethyl)triazol-1-yl]pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5-[4-(aminomethyl)triazol-1-yl]pentyl]cyclopropanamine
PubChem CID66338826
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC NameN-[5-[4-(aminomethyl)triazol-1-yl]pentyl]cyclopropanamine
SMILESNCc1cn(CCCCCNC2CC2)nn1
InChIInChI=1S/C11H21N5/c12-8-11-9-16(15-14-11)7-3-1-2-6-13-10-4-5-10/h9-10,13H,1-8,12H2
InChIKeyHOVNUEYBMYAKDQ-UHFFFAOYSA-N
XLogP0.66
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine
CID 66193005
N-[4-(1-methyltriazol-4-yl)butyl]cyclopropanamine
CID 107054857
6-[4-(aminomethyl)triazol-1-yl]hexanoic acid
CID 132577398
2-[4-(aminomethyl)triazol-1-yl]-N-methylethanamine
CID 115460281
4-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N,N-dimethylbutanamide
CID 66192832
N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]cyclopropanamine
CID 66192433
2-[4-(aminomethyl)triazol-1-yl]-N-ethylethanamine
CID 115460282
4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylbutanamide
CID 115460101
[1-(2-fluoroethyl)triazol-4-yl]methanamine
CID 80694161
2-[4-[[(4-aminocyclohexyl)amino]methyl]triazol-1-yl]ethanol
CID 66268121
2-[4-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458576
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-1-phosphanylformamide
CID 166768800

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(aminomethyl)triazol-1-yl]pentyl]cyclopropanamine?
The IUPAC name of N-[5-[4-(aminomethyl)triazol-1-yl]pentyl]cyclopropanamine (CID 66338826) is N-[5-[4-(aminomethyl)triazol-1-yl]pentyl]cyclopropanamine.
What is the SMILES notation for N-[5-[4-(aminomethyl)triazol-1-yl]pentyl]cyclopropanamine?
The canonical SMILES for N-[5-[4-(aminomethyl)triazol-1-yl]pentyl]cyclopropanamine is NCc1cn(CCCCCNC2CC2)nn1.
What is the InChIKey of N-[5-[4-(aminomethyl)triazol-1-yl]pentyl]cyclopropanamine?
The InChIKey is HOVNUEYBMYAKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c12-8-11-9-16(15-14-11)7-3-1-2-6-13-10-4-5-10/h9-10,13H,1-8,12H2.
What are the key properties of N-[5-[4-(aminomethyl)triazol-1-yl]pentyl]cyclopropanamine?
N-[5-[4-(aminomethyl)triazol-1-yl]pentyl]cyclopropanamine has a molecular weight of 223.32 g/mol, XLogP of 0.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(aminomethyl)triazol-1-yl]pentyl]cyclopropanamine is sourced from PubChem (CID 66338826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).