N-[2-(cycloheptylamino)ethyl]-3-(triazol-1-yl)propanamide

C14H25N5O — CID 81482627

IUPACN-[2-(cycloheptylamino)ethyl]-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)NCCNC1CCCCCC1
InChIInChI=1S/C14H25N5O/c20-14(7-11-19-12-10-17-18-19)16-9-8-15-13-5-3-1-2-4-6-13/h10,12-13,15H,1-9,11H2,(H,16,20)
InChIKeyDZMCAGJUYXCHRE-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.10
Rot. Bonds7

About N-[2-(cycloheptylamino)ethyl]-3-(triazol-1-yl)propanamide

N-[2-(cycloheptylamino)ethyl]-3-(triazol-1-yl)propanamide (PubChem CID 81482627) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-3-(triazol-1-yl)propanamide
PubChem CID81482627
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-[2-(cycloheptylamino)ethyl]-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)NCCNC1CCCCCC1
InChIInChI=1S/C14H25N5O/c20-14(7-11-19-12-10-17-18-19)16-9-8-15-13-5-3-1-2-4-6-13/h10,12-13,15H,1-9,11H2,(H,16,20)
InChIKeyDZMCAGJUYXCHRE-UHFFFAOYSA-N
XLogP1.10
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.10
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-[3-(cyclopropylamino)propyl]-3-pyrazol-1-ylpropanamide
CID 43596290
N-[(4-hydroxycyclohexyl)methyl]-3-(triazol-1-yl)propanamide
CID 114146390
3-[3-(triazol-1-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 63042025
N-cycloheptyl-2-(triazol-1-yl)acetamide
CID 154733961
3-(2-oxoazepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide
CID 122570220
N-[3-(ethylamino)propyl]-3-(triazol-1-yl)propanamide
CID 43601596
N-[2-(cyclopropylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 62665464
4-[3-(triazol-1-yl)propylamino]piperidine-1-carboxamide
CID 113412516
N-[2-(cycloheptylamino)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide;hydrochloride
CID 119620473
3-(benzimidazol-1-yl)-N-[2-(cycloheptylamino)ethyl]propanamide;dihydrochloride
CID 119619800
2-hydroxy-2-methyl-3-[3-(triazol-1-yl)propanoylamino]propanoic acid
CID 66173368
N-[2-(cycloheptylamino)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 119619852

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-3-(triazol-1-yl)propanamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-3-(triazol-1-yl)propanamide (CID 81482627) is N-[2-(cycloheptylamino)ethyl]-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-3-(triazol-1-yl)propanamide is O=C(CCn1ccnn1)NCCNC1CCCCCC1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-3-(triazol-1-yl)propanamide?
The InChIKey is DZMCAGJUYXCHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c20-14(7-11-19-12-10-17-18-19)16-9-8-15-13-5-3-1-2-4-6-13/h10,12-13,15H,1-9,11H2,(H,16,20).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-3-(triazol-1-yl)propanamide?
N-[2-(cycloheptylamino)ethyl]-3-(triazol-1-yl)propanamide has a molecular weight of 279.39 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 81482627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).