(4R,5R)-2,7-dimethylocta-1,7-diene-4,5-diamine

C10H20N2 — CID 134964888

IUPAC(4R,5R)-2,7-dimethylocta-1,7-diene-4,5-diamine
SMILESC=C(C)C[C@@H](N)[C@H](N)CC(=C)C
InChIInChI=1S/C10H20N2/c1-7(2)5-9(11)10(12)6-8(3)4/h9-10H,1,3,5-6,11-12H2,2,4H3/t9-,10-/m1/s1
InChIKeyQIKKDALPRDHATR-NXEZZACHSA-N
MW168.28 g/mol
LogP1.57
Rot. Bonds5

About (4R,5R)-2,7-dimethylocta-1,7-diene-4,5-diamine

(4R,5R)-2,7-dimethylocta-1,7-diene-4,5-diamine (PubChem CID 134964888) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (4R,5R)-2,7-dimethylocta-1,7-diene-4,5-diamine.

Molecular Properties

Compound Name(4R,5R)-2,7-dimethylocta-1,7-diene-4,5-diamine
PubChem CID134964888
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(4R,5R)-2,7-dimethylocta-1,7-diene-4,5-diamine
SMILESC=C(C)C[C@@H](N)[C@H](N)CC(=C)C
InChIInChI=1S/C10H20N2/c1-7(2)5-9(11)10(12)6-8(3)4/h9-10H,1,3,5-6,11-12H2,2,4H3/t9-,10-/m1/s1
InChIKeyQIKKDALPRDHATR-NXEZZACHSA-N
XLogP1.57
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.57
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 (4R,5R)-2,7-dimethylocta-1,7-diene-4,5-diamine?
The IUPAC name of (4R,5R)-2,7-dimethylocta-1,7-diene-4,5-diamine (CID 134964888) is (4R,5R)-2,7-dimethylocta-1,7-diene-4,5-diamine.
What is the SMILES notation for (4R,5R)-2,7-dimethylocta-1,7-diene-4,5-diamine?
The canonical SMILES for (4R,5R)-2,7-dimethylocta-1,7-diene-4,5-diamine is C=C(C)C[C@@H](N)[C@H](N)CC(=C)C.
What is the InChIKey of (4R,5R)-2,7-dimethylocta-1,7-diene-4,5-diamine?
The InChIKey is QIKKDALPRDHATR-NXEZZACHSA-N. The full InChI is InChI=1S/C10H20N2/c1-7(2)5-9(11)10(12)6-8(3)4/h9-10H,1,3,5-6,11-12H2,2,4H3/t9-,10-/m1/s1.
What are the key properties of (4R,5R)-2,7-dimethylocta-1,7-diene-4,5-diamine?
(4R,5R)-2,7-dimethylocta-1,7-diene-4,5-diamine has a molecular weight of 168.28 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2,7-dimethylocta-1,7-diene-4,5-diamine is sourced from PubChem (CID 134964888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).