2-N-(3,3-dimethylbutan-2-yl)-5-methyl-3-N-(4-methylpent-1-en-2-yl)hex-1-ene-2,3-diamine

C19H38N2 — CID 130373947

IUPAC2-N-(3,3-dimethylbutan-2-yl)-5-methyl-3-N-(4-methylpent-1-en-2-yl)hex-1-ene-2,3-diamine
SMILESC=C(CC(C)C)NC(CC(C)C)C(=C)NC(C)C(C)(C)C
InChIInChI=1S/C19H38N2/c1-13(2)11-15(5)20-18(12-14(3)4)16(6)21-17(7)19(8,9)10/h13-14,17-18,20-21H,5-6,11-12H2,1-4,7-10H3
InChIKeyBLDHRBRHTLCNEM-UHFFFAOYSA-N
MW294.53 g/mol
LogP5.09
Rot. Bonds9

About 2-N-(3,3-dimethylbutan-2-yl)-5-methyl-3-N-(4-methylpent-1-en-2-yl)hex-1-ene-2,3-diamine

2-N-(3,3-dimethylbutan-2-yl)-5-methyl-3-N-(4-methylpent-1-en-2-yl)hex-1-ene-2,3-diamine (PubChem CID 130373947) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 2-N-(3,3-dimethylbutan-2-yl)-5-methyl-3-N-(4-methylpent-1-en-2-yl)hex-1-ene-2,3-diamine.

Molecular Properties

Compound Name2-N-(3,3-dimethylbutan-2-yl)-5-methyl-3-N-(4-methylpent-1-en-2-yl)hex-1-ene-2,3-diamine
PubChem CID130373947
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name2-N-(3,3-dimethylbutan-2-yl)-5-methyl-3-N-(4-methylpent-1-en-2-yl)hex-1-ene-2,3-diamine
SMILESC=C(CC(C)C)NC(CC(C)C)C(=C)NC(C)C(C)(C)C
InChIInChI=1S/C19H38N2/c1-13(2)11-15(5)20-18(12-14(3)4)16(6)21-17(7)19(8,9)10/h13-14,17-18,20-21H,5-6,11-12H2,1-4,7-10H3
InChIKeyBLDHRBRHTLCNEM-UHFFFAOYSA-N
XLogP5.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.53
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,3-dimethylbutan-2-yl)-5-methyl-3-N-(4-methylpent-1-en-2-yl)hex-1-ene-2,3-diamine?
The IUPAC name of 2-N-(3,3-dimethylbutan-2-yl)-5-methyl-3-N-(4-methylpent-1-en-2-yl)hex-1-ene-2,3-diamine (CID 130373947) is 2-N-(3,3-dimethylbutan-2-yl)-5-methyl-3-N-(4-methylpent-1-en-2-yl)hex-1-ene-2,3-diamine.
What is the SMILES notation for 2-N-(3,3-dimethylbutan-2-yl)-5-methyl-3-N-(4-methylpent-1-en-2-yl)hex-1-ene-2,3-diamine?
The canonical SMILES for 2-N-(3,3-dimethylbutan-2-yl)-5-methyl-3-N-(4-methylpent-1-en-2-yl)hex-1-ene-2,3-diamine is C=C(CC(C)C)NC(CC(C)C)C(=C)NC(C)C(C)(C)C.
What is the InChIKey of 2-N-(3,3-dimethylbutan-2-yl)-5-methyl-3-N-(4-methylpent-1-en-2-yl)hex-1-ene-2,3-diamine?
The InChIKey is BLDHRBRHTLCNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-13(2)11-15(5)20-18(12-14(3)4)16(6)21-17(7)19(8,9)10/h13-14,17-18,20-21H,5-6,11-12H2,1-4,7-10H3.
What are the key properties of 2-N-(3,3-dimethylbutan-2-yl)-5-methyl-3-N-(4-methylpent-1-en-2-yl)hex-1-ene-2,3-diamine?
2-N-(3,3-dimethylbutan-2-yl)-5-methyl-3-N-(4-methylpent-1-en-2-yl)hex-1-ene-2,3-diamine has a molecular weight of 294.53 g/mol, XLogP of 5.09, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,3-dimethylbutan-2-yl)-5-methyl-3-N-(4-methylpent-1-en-2-yl)hex-1-ene-2,3-diamine is sourced from PubChem (CID 130373947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).