4-[1-(aminomethyl)cycloheptanecarbonyl]-1,4-diazepan-2-one

C14H25N3O2 — CID 65366648

IUPAC4-[1-(aminomethyl)cycloheptanecarbonyl]-1,4-diazepan-2-one
SMILESNCC1(C(=O)N2CCCNC(=O)C2)CCCCCC1
InChIInChI=1S/C14H25N3O2/c15-11-14(6-3-1-2-4-7-14)13(19)17-9-5-8-16-12(18)10-17/h1-11,15H2,(H,16,18)
InChIKeyKENCVWLPPLFBFH-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.63
Rot. Bonds2

About 4-[1-(aminomethyl)cycloheptanecarbonyl]-1,4-diazepan-2-one

4-[1-(aminomethyl)cycloheptanecarbonyl]-1,4-diazepan-2-one (PubChem CID 65366648) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[1-(aminomethyl)cycloheptanecarbonyl]-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-[1-(aminomethyl)cycloheptanecarbonyl]-1,4-diazepan-2-one
PubChem CID65366648
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-[1-(aminomethyl)cycloheptanecarbonyl]-1,4-diazepan-2-one
SMILESNCC1(C(=O)N2CCCNC(=O)C2)CCCCCC1
InChIInChI=1S/C14H25N3O2/c15-11-14(6-3-1-2-4-7-14)13(19)17-9-5-8-16-12(18)10-17/h1-11,15H2,(H,16,18)
InChIKeyKENCVWLPPLFBFH-UHFFFAOYSA-N
XLogP0.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)cycloheptanecarbonyl]-1,4-diazepan-2-one?
The IUPAC name of 4-[1-(aminomethyl)cycloheptanecarbonyl]-1,4-diazepan-2-one (CID 65366648) is 4-[1-(aminomethyl)cycloheptanecarbonyl]-1,4-diazepan-2-one.
What is the SMILES notation for 4-[1-(aminomethyl)cycloheptanecarbonyl]-1,4-diazepan-2-one?
The canonical SMILES for 4-[1-(aminomethyl)cycloheptanecarbonyl]-1,4-diazepan-2-one is NCC1(C(=O)N2CCCNC(=O)C2)CCCCCC1.
What is the InChIKey of 4-[1-(aminomethyl)cycloheptanecarbonyl]-1,4-diazepan-2-one?
The InChIKey is KENCVWLPPLFBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c15-11-14(6-3-1-2-4-7-14)13(19)17-9-5-8-16-12(18)10-17/h1-11,15H2,(H,16,18).
What are the key properties of 4-[1-(aminomethyl)cycloheptanecarbonyl]-1,4-diazepan-2-one?
4-[1-(aminomethyl)cycloheptanecarbonyl]-1,4-diazepan-2-one has a molecular weight of 267.37 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)cycloheptanecarbonyl]-1,4-diazepan-2-one is sourced from PubChem (CID 65366648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).