(Z)-1-N,3-N-bis(2-methylbutan-2-yl)hept-4-ene-1,3-diamine

C17H36N2 — CID 89078690

IUPAC(Z)-1-N,3-N-bis(2-methylbutan-2-yl)hept-4-ene-1,3-diamine
SMILESCC/C=C\C(CCNC(C)(C)CC)NC(C)(C)CC
InChIInChI=1S/C17H36N2/c1-8-11-12-15(19-17(6,7)10-3)13-14-18-16(4,5)9-2/h11-12,15,18-19H,8-10,13-14H2,1-7H3/b12-11-
InChIKeyKAXOXTLDXDDSOW-QXMHVHEDSA-N
MW268.49 g/mol
LogP4.27
Rot. Bonds10

About (Z)-1-N,3-N-bis(2-methylbutan-2-yl)hept-4-ene-1,3-diamine

(Z)-1-N,3-N-bis(2-methylbutan-2-yl)hept-4-ene-1,3-diamine (PubChem CID 89078690) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is (Z)-1-N,3-N-bis(2-methylbutan-2-yl)hept-4-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-1-N,3-N-bis(2-methylbutan-2-yl)hept-4-ene-1,3-diamine
PubChem CID89078690
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name(Z)-1-N,3-N-bis(2-methylbutan-2-yl)hept-4-ene-1,3-diamine
SMILESCC/C=C\C(CCNC(C)(C)CC)NC(C)(C)CC
InChIInChI=1S/C17H36N2/c1-8-11-12-15(19-17(6,7)10-3)13-14-18-16(4,5)9-2/h11-12,15,18-19H,8-10,13-14H2,1-7H3/b12-11-
InChIKeyKAXOXTLDXDDSOW-QXMHVHEDSA-N
XLogP4.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.27
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 (Z)-1-N,3-N-bis(2-methylbutan-2-yl)hept-4-ene-1,3-diamine?
The IUPAC name of (Z)-1-N,3-N-bis(2-methylbutan-2-yl)hept-4-ene-1,3-diamine (CID 89078690) is (Z)-1-N,3-N-bis(2-methylbutan-2-yl)hept-4-ene-1,3-diamine.
What is the SMILES notation for (Z)-1-N,3-N-bis(2-methylbutan-2-yl)hept-4-ene-1,3-diamine?
The canonical SMILES for (Z)-1-N,3-N-bis(2-methylbutan-2-yl)hept-4-ene-1,3-diamine is CC/C=C\C(CCNC(C)(C)CC)NC(C)(C)CC.
What is the InChIKey of (Z)-1-N,3-N-bis(2-methylbutan-2-yl)hept-4-ene-1,3-diamine?
The InChIKey is KAXOXTLDXDDSOW-QXMHVHEDSA-N. The full InChI is InChI=1S/C17H36N2/c1-8-11-12-15(19-17(6,7)10-3)13-14-18-16(4,5)9-2/h11-12,15,18-19H,8-10,13-14H2,1-7H3/b12-11-.
What are the key properties of (Z)-1-N,3-N-bis(2-methylbutan-2-yl)hept-4-ene-1,3-diamine?
(Z)-1-N,3-N-bis(2-methylbutan-2-yl)hept-4-ene-1,3-diamine has a molecular weight of 268.49 g/mol, XLogP of 4.27, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N,3-N-bis(2-methylbutan-2-yl)hept-4-ene-1,3-diamine is sourced from PubChem (CID 89078690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).