5-N,7-dimethyl-6-methylidene-1-N,5-N-di(propan-2-yl)octane-1,5-diamine

C17H36N2 — CID 134420545

IUPAC5-N,7-dimethyl-6-methylidene-1-N,5-N-di(propan-2-yl)octane-1,5-diamine
SMILESC=C(C(C)C)C(CCCCNC(C)C)N(C)C(C)C
InChIInChI=1S/C17H36N2/c1-13(2)16(7)17(19(8)15(5)6)11-9-10-12-18-14(3)4/h13-15,17-18H,7,9-12H2,1-6,8H3
InChIKeyVXGTXXSRMNYAEN-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.08
Rot. Bonds10

About 5-N,7-dimethyl-6-methylidene-1-N,5-N-di(propan-2-yl)octane-1,5-diamine

5-N,7-dimethyl-6-methylidene-1-N,5-N-di(propan-2-yl)octane-1,5-diamine (PubChem CID 134420545) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 5-N,7-dimethyl-6-methylidene-1-N,5-N-di(propan-2-yl)octane-1,5-diamine.

Molecular Properties

Compound Name5-N,7-dimethyl-6-methylidene-1-N,5-N-di(propan-2-yl)octane-1,5-diamine
PubChem CID134420545
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name5-N,7-dimethyl-6-methylidene-1-N,5-N-di(propan-2-yl)octane-1,5-diamine
SMILESC=C(C(C)C)C(CCCCNC(C)C)N(C)C(C)C
InChIInChI=1S/C17H36N2/c1-13(2)16(7)17(19(8)15(5)6)11-9-10-12-18-14(3)4/h13-15,17-18H,7,9-12H2,1-6,8H3
InChIKeyVXGTXXSRMNYAEN-UHFFFAOYSA-N
XLogP4.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
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 5-N,7-dimethyl-6-methylidene-1-N,5-N-di(propan-2-yl)octane-1,5-diamine?
The IUPAC name of 5-N,7-dimethyl-6-methylidene-1-N,5-N-di(propan-2-yl)octane-1,5-diamine (CID 134420545) is 5-N,7-dimethyl-6-methylidene-1-N,5-N-di(propan-2-yl)octane-1,5-diamine.
What is the SMILES notation for 5-N,7-dimethyl-6-methylidene-1-N,5-N-di(propan-2-yl)octane-1,5-diamine?
The canonical SMILES for 5-N,7-dimethyl-6-methylidene-1-N,5-N-di(propan-2-yl)octane-1,5-diamine is C=C(C(C)C)C(CCCCNC(C)C)N(C)C(C)C.
What is the InChIKey of 5-N,7-dimethyl-6-methylidene-1-N,5-N-di(propan-2-yl)octane-1,5-diamine?
The InChIKey is VXGTXXSRMNYAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-13(2)16(7)17(19(8)15(5)6)11-9-10-12-18-14(3)4/h13-15,17-18H,7,9-12H2,1-6,8H3.
What are the key properties of 5-N,7-dimethyl-6-methylidene-1-N,5-N-di(propan-2-yl)octane-1,5-diamine?
5-N,7-dimethyl-6-methylidene-1-N,5-N-di(propan-2-yl)octane-1,5-diamine has a molecular weight of 268.49 g/mol, XLogP of 4.08, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,7-dimethyl-6-methylidene-1-N,5-N-di(propan-2-yl)octane-1,5-diamine is sourced from PubChem (CID 134420545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).