cycloheptene-1,3-diamine

C7H14N2 — CID 141202628

IUPACcycloheptene-1,3-diamine
SMILESNC1=CC(N)CCCC1
InChIInChI=1S/C7H14N2/c8-6-3-1-2-4-7(9)5-6/h5-6H,1-4,8-9H2
InChIKeyJKMIDQQFBXZOCS-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.73
Rot. Bonds

About cycloheptene-1,3-diamine

cycloheptene-1,3-diamine (PubChem CID 141202628) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is cycloheptene-1,3-diamine.

Molecular Properties

Compound Namecycloheptene-1,3-diamine
PubChem CID141202628
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Namecycloheptene-1,3-diamine
SMILESNC1=CC(N)CCCC1
InChIInChI=1S/C7H14N2/c8-6-3-1-2-4-7(9)5-6/h5-6H,1-4,8-9H2
InChIKeyJKMIDQQFBXZOCS-UHFFFAOYSA-N
XLogP0.73
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohept-2-en-1-amine
CID 11263481
Cyclohept-1-en-1-amine
CID 21955876
5-Fluorocyclohex-2-ene-1,2-diamine
CID 156374688
Cyclohept-2-en-1-ylazanium
CID 21726466
Cyclohexene-1,4-diamine
CID 10313110
2-Cycloheptenylamine hydrochloride
CID 13532852
(1S)-cyclohept-2-en-1-amine
CID 13532857
(1R)-cyclohept-2-en-1-amine
CID 13532858
3-Cyclohepten-1-amine,(1R)-
CID 21522758
Cyclohexene-1,3-diamine
CID 22627722
Cyclopentene-1,3-diamine
CID 23568360
(E)-non-2-ene-2,8-diamine
CID 59222473

Frequently Asked Questions

What is the IUPAC name of cycloheptene-1,3-diamine?
The IUPAC name of cycloheptene-1,3-diamine (CID 141202628) is cycloheptene-1,3-diamine.
What is the SMILES notation for cycloheptene-1,3-diamine?
The canonical SMILES for cycloheptene-1,3-diamine is NC1=CC(N)CCCC1.
What is the InChIKey of cycloheptene-1,3-diamine?
The InChIKey is JKMIDQQFBXZOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c8-6-3-1-2-4-7(9)5-6/h5-6H,1-4,8-9H2.
What are the key properties of cycloheptene-1,3-diamine?
cycloheptene-1,3-diamine has a molecular weight of 126.20 g/mol, XLogP of 0.73, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptene-1,3-diamine is sourced from PubChem (CID 141202628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).