N'-(7,8-dimethylnona-1,8-dien-2-yl)-N-propan-2-ylhexane-1,6-diamine

C20H40N2 — CID 146553524

IUPACN'-(7,8-dimethylnona-1,8-dien-2-yl)-N-propan-2-ylhexane-1,6-diamine
SMILESC=C(CCCCC(C)C(=C)C)NCCCCCCNC(C)C
InChIInChI=1S/C20H40N2/c1-17(2)19(5)13-9-10-14-20(6)22-16-12-8-7-11-15-21-18(3)4/h18-19,21-22H,1,6-16H2,2-5H3
InChIKeyOLXLURAFBFZLHQ-UHFFFAOYSA-N
MW308.55 g/mol
LogP5.42
Rot. Bonds15

About N'-(7,8-dimethylnona-1,8-dien-2-yl)-N-propan-2-ylhexane-1,6-diamine

N'-(7,8-dimethylnona-1,8-dien-2-yl)-N-propan-2-ylhexane-1,6-diamine (PubChem CID 146553524) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is N'-(7,8-dimethylnona-1,8-dien-2-yl)-N-propan-2-ylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-(7,8-dimethylnona-1,8-dien-2-yl)-N-propan-2-ylhexane-1,6-diamine
PubChem CID146553524
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC NameN'-(7,8-dimethylnona-1,8-dien-2-yl)-N-propan-2-ylhexane-1,6-diamine
SMILESC=C(CCCCC(C)C(=C)C)NCCCCCCNC(C)C
InChIInChI=1S/C20H40N2/c1-17(2)19(5)13-9-10-14-20(6)22-16-12-8-7-11-15-21-18(3)4/h18-19,21-22H,1,6-16H2,2-5H3
InChIKeyOLXLURAFBFZLHQ-UHFFFAOYSA-N
XLogP5.42
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(7,8-dimethylnona-1,8-dien-2-yl)-N-propan-2-ylhexane-1,6-diamine?
The IUPAC name of N'-(7,8-dimethylnona-1,8-dien-2-yl)-N-propan-2-ylhexane-1,6-diamine (CID 146553524) is N'-(7,8-dimethylnona-1,8-dien-2-yl)-N-propan-2-ylhexane-1,6-diamine.
What is the SMILES notation for N'-(7,8-dimethylnona-1,8-dien-2-yl)-N-propan-2-ylhexane-1,6-diamine?
The canonical SMILES for N'-(7,8-dimethylnona-1,8-dien-2-yl)-N-propan-2-ylhexane-1,6-diamine is C=C(CCCCC(C)C(=C)C)NCCCCCCNC(C)C.
What is the InChIKey of N'-(7,8-dimethylnona-1,8-dien-2-yl)-N-propan-2-ylhexane-1,6-diamine?
The InChIKey is OLXLURAFBFZLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2/c1-17(2)19(5)13-9-10-14-20(6)22-16-12-8-7-11-15-21-18(3)4/h18-19,21-22H,1,6-16H2,2-5H3.
What are the key properties of N'-(7,8-dimethylnona-1,8-dien-2-yl)-N-propan-2-ylhexane-1,6-diamine?
N'-(7,8-dimethylnona-1,8-dien-2-yl)-N-propan-2-ylhexane-1,6-diamine has a molecular weight of 308.55 g/mol, XLogP of 5.42, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7,8-dimethylnona-1,8-dien-2-yl)-N-propan-2-ylhexane-1,6-diamine is sourced from PubChem (CID 146553524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).