N-[2-(2-aminoethyl)pentyl]azepane-1-carboxamide

C14H29N3O — CID 106116291

IUPACN-[2-(2-aminoethyl)pentyl]azepane-1-carboxamide
SMILESCCCC(CCN)CNC(=O)N1CCCCCC1
InChIInChI=1S/C14H29N3O/c1-2-7-13(8-9-15)12-16-14(18)17-10-5-3-4-6-11-17/h13H,2-12,15H2,1H3,(H,16,18)
InChIKeyZEKKFKBKQTZFDG-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.34
Rot. Bonds6

About N-[2-(2-aminoethyl)pentyl]azepane-1-carboxamide

N-[2-(2-aminoethyl)pentyl]azepane-1-carboxamide (PubChem CID 106116291) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-[2-(2-aminoethyl)pentyl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-aminoethyl)pentyl]azepane-1-carboxamide
PubChem CID106116291
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-[2-(2-aminoethyl)pentyl]azepane-1-carboxamide
SMILESCCCC(CCN)CNC(=O)N1CCCCCC1
InChIInChI=1S/C14H29N3O/c1-2-7-13(8-9-15)12-16-14(18)17-10-5-3-4-6-11-17/h13H,2-12,15H2,1H3,(H,16,18)
InChIKeyZEKKFKBKQTZFDG-UHFFFAOYSA-N
XLogP2.34
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethyl)pentyl]azepane-1-carboxamide?
The IUPAC name of N-[2-(2-aminoethyl)pentyl]azepane-1-carboxamide (CID 106116291) is N-[2-(2-aminoethyl)pentyl]azepane-1-carboxamide.
What is the SMILES notation for N-[2-(2-aminoethyl)pentyl]azepane-1-carboxamide?
The canonical SMILES for N-[2-(2-aminoethyl)pentyl]azepane-1-carboxamide is CCCC(CCN)CNC(=O)N1CCCCCC1.
What is the InChIKey of N-[2-(2-aminoethyl)pentyl]azepane-1-carboxamide?
The InChIKey is ZEKKFKBKQTZFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-2-7-13(8-9-15)12-16-14(18)17-10-5-3-4-6-11-17/h13H,2-12,15H2,1H3,(H,16,18).
What are the key properties of N-[2-(2-aminoethyl)pentyl]azepane-1-carboxamide?
N-[2-(2-aminoethyl)pentyl]azepane-1-carboxamide has a molecular weight of 255.41 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethyl)pentyl]azepane-1-carboxamide is sourced from PubChem (CID 106116291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).