2-N-(2,2-dimethyl-3-methylidenenonan-4-yl)-2-N,3-N-dimethylpent-1-ene-2,3-diamine

C19H38N2 — CID 129103542

IUPAC2-N-(2,2-dimethyl-3-methylidenenonan-4-yl)-2-N,3-N-dimethylpent-1-ene-2,3-diamine
SMILESC=C(C(CC)NC)N(C)C(CCCCC)C(=C)C(C)(C)C
InChIInChI=1S/C19H38N2/c1-10-12-13-14-18(15(3)19(5,6)7)21(9)16(4)17(11-2)20-8/h17-18,20H,3-4,10-14H2,1-2,5-9H3
InChIKeyMOCXINJKSWMDFG-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.98
Rot. Bonds10

About 2-N-(2,2-dimethyl-3-methylidenenonan-4-yl)-2-N,3-N-dimethylpent-1-ene-2,3-diamine

2-N-(2,2-dimethyl-3-methylidenenonan-4-yl)-2-N,3-N-dimethylpent-1-ene-2,3-diamine (PubChem CID 129103542) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 2-N-(2,2-dimethyl-3-methylidenenonan-4-yl)-2-N,3-N-dimethylpent-1-ene-2,3-diamine.

Molecular Properties

Compound Name2-N-(2,2-dimethyl-3-methylidenenonan-4-yl)-2-N,3-N-dimethylpent-1-ene-2,3-diamine
PubChem CID129103542
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name2-N-(2,2-dimethyl-3-methylidenenonan-4-yl)-2-N,3-N-dimethylpent-1-ene-2,3-diamine
SMILESC=C(C(CC)NC)N(C)C(CCCCC)C(=C)C(C)(C)C
InChIInChI=1S/C19H38N2/c1-10-12-13-14-18(15(3)19(5,6)7)21(9)16(4)17(11-2)20-8/h17-18,20H,3-4,10-14H2,1-2,5-9H3
InChIKeyMOCXINJKSWMDFG-UHFFFAOYSA-N
XLogP4.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.98
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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Related Compounds

2-N-(1-fluoro-6,6-dimethyl-5-methylideneheptan-4-yl)-4-methylpent-1-ene-2,3-diamine
CID 132222077
3-N-tert-butyl-2-N-(1-fluoro-6,6-dimethyl-5-methylideneheptan-4-yl)-4-methylpent-1-ene-2,3-diamine
CID 134403276
4,4-diethyl-5-methyl-2-N-(3-methylbut-1-en-2-yl)-3-methylideneheptane-2,5-diamine
CID 121478737
5-N,5-N-dimethyl-6-N-(2-methylheptan-3-yl)hept-6-ene-1,5,6-triamine
CID 126537911
1-N-methyl-6-N-(2-methylheptan-3-yl)hept-6-ene-1,5,6-triamine
CID 126538746
3-N-tert-butyl-2-N-(2,2-dimethyl-3-methylideneoctan-4-yl)-3-N,4-dimethylpent-1-ene-2,3-diamine
CID 126656903
4,4,6,7,7,8-hexamethyl-N-(4-methylpent-1-en-2-yl)nonan-2-amine
CID 126692502
3-N-but-1-en-2-yl-2-N-(2,5-dimethyl-4-methylidenehexan-3-yl)-2-N-methylpent-1-ene-2,3-diamine
CID 126704532
3-N-tert-butyl-2-N-(2,2-dimethyl-3-methylideneoctan-4-yl)-4-methylpent-1-ene-2,3-diamine
CID 129103619
5-N-[3-[tert-butyl(methyl)amino]pent-1-en-2-yl]-7,7-dimethyl-6-methylideneoctane-1,5-diamine
CID 129103728
7-cyclopentadecyl-2-N-methyl-6-methylidene-3-N-prop-1-en-2-yloct-1-ene-2,3-diamine
CID 130355901
3-N-(4,4-dimethylpent-1-en-2-yl)-5-methyl-2-N-(2,4,4-trimethylpent-1-en-3-yl)hex-1-ene-2,3-diamine
CID 130373753

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-dimethyl-3-methylidenenonan-4-yl)-2-N,3-N-dimethylpent-1-ene-2,3-diamine?
The IUPAC name of 2-N-(2,2-dimethyl-3-methylidenenonan-4-yl)-2-N,3-N-dimethylpent-1-ene-2,3-diamine (CID 129103542) is 2-N-(2,2-dimethyl-3-methylidenenonan-4-yl)-2-N,3-N-dimethylpent-1-ene-2,3-diamine.
What is the SMILES notation for 2-N-(2,2-dimethyl-3-methylidenenonan-4-yl)-2-N,3-N-dimethylpent-1-ene-2,3-diamine?
The canonical SMILES for 2-N-(2,2-dimethyl-3-methylidenenonan-4-yl)-2-N,3-N-dimethylpent-1-ene-2,3-diamine is C=C(C(CC)NC)N(C)C(CCCCC)C(=C)C(C)(C)C.
What is the InChIKey of 2-N-(2,2-dimethyl-3-methylidenenonan-4-yl)-2-N,3-N-dimethylpent-1-ene-2,3-diamine?
The InChIKey is MOCXINJKSWMDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-10-12-13-14-18(15(3)19(5,6)7)21(9)16(4)17(11-2)20-8/h17-18,20H,3-4,10-14H2,1-2,5-9H3.
What are the key properties of 2-N-(2,2-dimethyl-3-methylidenenonan-4-yl)-2-N,3-N-dimethylpent-1-ene-2,3-diamine?
2-N-(2,2-dimethyl-3-methylidenenonan-4-yl)-2-N,3-N-dimethylpent-1-ene-2,3-diamine has a molecular weight of 294.53 g/mol, XLogP of 4.98, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-dimethyl-3-methylidenenonan-4-yl)-2-N,3-N-dimethylpent-1-ene-2,3-diamine is sourced from PubChem (CID 129103542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).