(Z)-N',N'-bis(3-aminopropyl)-4-(4-methylpentyl)non-4-ene-1,9-diamine

C21H46N4 — CID 138538446

IUPAC(Z)-N',N'-bis(3-aminopropyl)-4-(4-methylpentyl)non-4-ene-1,9-diamine
SMILESCC(C)CCC/C(=C/CCCCN(CCCN)CCCN)CCCN
InChIInChI=1S/C21H46N4/c1-20(2)10-6-12-21(13-7-14-22)11-4-3-5-17-25(18-8-15-23)19-9-16-24/h11,20H,3-10,12-19,22-24H2,1-2H3/b21-11-
InChIKeyXKAXEWJLDJBJGB-NHDPSOOVSA-N
MW354.63 g/mol
LogP3.65
Rot. Bonds18

About (Z)-N',N'-bis(3-aminopropyl)-4-(4-methylpentyl)non-4-ene-1,9-diamine

(Z)-N',N'-bis(3-aminopropyl)-4-(4-methylpentyl)non-4-ene-1,9-diamine (PubChem CID 138538446) has the molecular formula C21H46N4 and a molecular weight of 354.63 g/mol. Its IUPAC name is (Z)-N',N'-bis(3-aminopropyl)-4-(4-methylpentyl)non-4-ene-1,9-diamine.

Molecular Properties

Compound Name(Z)-N',N'-bis(3-aminopropyl)-4-(4-methylpentyl)non-4-ene-1,9-diamine
PubChem CID138538446
Molecular FormulaC21H46N4
Molecular Weight354.63 g/mol
Exact Mass354.37
IUPAC Name(Z)-N',N'-bis(3-aminopropyl)-4-(4-methylpentyl)non-4-ene-1,9-diamine
SMILESCC(C)CCC/C(=C/CCCCN(CCCN)CCCN)CCCN
InChIInChI=1S/C21H46N4/c1-20(2)10-6-12-21(13-7-14-22)11-4-3-5-17-25(18-8-15-23)19-9-16-24/h11,20H,3-10,12-19,22-24H2,1-2H3/b21-11-
InChIKeyXKAXEWJLDJBJGB-NHDPSOOVSA-N
XLogP3.65
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 (Z)-N',N'-bis(3-aminopropyl)-4-(4-methylpentyl)non-4-ene-1,9-diamine?
The IUPAC name of (Z)-N',N'-bis(3-aminopropyl)-4-(4-methylpentyl)non-4-ene-1,9-diamine (CID 138538446) is (Z)-N',N'-bis(3-aminopropyl)-4-(4-methylpentyl)non-4-ene-1,9-diamine.
What is the SMILES notation for (Z)-N',N'-bis(3-aminopropyl)-4-(4-methylpentyl)non-4-ene-1,9-diamine?
The canonical SMILES for (Z)-N',N'-bis(3-aminopropyl)-4-(4-methylpentyl)non-4-ene-1,9-diamine is CC(C)CCC/C(=C/CCCCN(CCCN)CCCN)CCCN.
What is the InChIKey of (Z)-N',N'-bis(3-aminopropyl)-4-(4-methylpentyl)non-4-ene-1,9-diamine?
The InChIKey is XKAXEWJLDJBJGB-NHDPSOOVSA-N. The full InChI is InChI=1S/C21H46N4/c1-20(2)10-6-12-21(13-7-14-22)11-4-3-5-17-25(18-8-15-23)19-9-16-24/h11,20H,3-10,12-19,22-24H2,1-2H3/b21-11-.
What are the key properties of (Z)-N',N'-bis(3-aminopropyl)-4-(4-methylpentyl)non-4-ene-1,9-diamine?
(Z)-N',N'-bis(3-aminopropyl)-4-(4-methylpentyl)non-4-ene-1,9-diamine has a molecular weight of 354.63 g/mol, XLogP of 3.65, 18 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N',N'-bis(3-aminopropyl)-4-(4-methylpentyl)non-4-ene-1,9-diamine is sourced from PubChem (CID 138538446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).