3-prop-1-en-2-ylhexane-1,6-diamine

C9H20N2 — CID 89024909

IUPAC3-prop-1-en-2-ylhexane-1,6-diamine
SMILESC=C(C)C(CCN)CCCN
InChIInChI=1S/C9H20N2/c1-8(2)9(5-7-11)4-3-6-10/h9H,1,3-7,10-11H2,2H3
InChIKeyXTDQFINVZFKFMK-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.27
Rot. Bonds6

About 3-prop-1-en-2-ylhexane-1,6-diamine

3-prop-1-en-2-ylhexane-1,6-diamine (PubChem CID 89024909) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-prop-1-en-2-ylhexane-1,6-diamine.

Molecular Properties

Compound Name3-prop-1-en-2-ylhexane-1,6-diamine
PubChem CID89024909
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name3-prop-1-en-2-ylhexane-1,6-diamine
SMILESC=C(C)C(CCN)CCCN
InChIInChI=1S/C9H20N2/c1-8(2)9(5-7-11)4-3-6-10/h9H,1,3-7,10-11H2,2H3
InChIKeyXTDQFINVZFKFMK-UHFFFAOYSA-N
XLogP1.27
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-prop-1-en-2-ylhexane-1,6-diamine?
The IUPAC name of 3-prop-1-en-2-ylhexane-1,6-diamine (CID 89024909) is 3-prop-1-en-2-ylhexane-1,6-diamine.
What is the SMILES notation for 3-prop-1-en-2-ylhexane-1,6-diamine?
The canonical SMILES for 3-prop-1-en-2-ylhexane-1,6-diamine is C=C(C)C(CCN)CCCN.
What is the InChIKey of 3-prop-1-en-2-ylhexane-1,6-diamine?
The InChIKey is XTDQFINVZFKFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-8(2)9(5-7-11)4-3-6-10/h9H,1,3-7,10-11H2,2H3.
What are the key properties of 3-prop-1-en-2-ylhexane-1,6-diamine?
3-prop-1-en-2-ylhexane-1,6-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-ylhexane-1,6-diamine is sourced from PubChem (CID 89024909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).