1-N-(2,2-dimethylpentan-3-yl)-1-N'-(4,4-dimethylpent-1-en-3-yl)ethene-1,1-diamine

C16H32N2 — CID 143355572

IUPAC1-N-(2,2-dimethylpentan-3-yl)-1-N'-(4,4-dimethylpent-1-en-3-yl)ethene-1,1-diamine
SMILESC=CC(NC(=C)NC(CC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H32N2/c1-10-13(15(4,5)6)17-12(3)18-14(11-2)16(7,8)9/h10,13-14,17-18H,1,3,11H2,2,4-9H3
InChIKeyDZUPRPDJRPISOD-UHFFFAOYSA-N
MW252.45 g/mol
LogP4.06
Rot. Bonds6

About 1-N-(2,2-dimethylpentan-3-yl)-1-N'-(4,4-dimethylpent-1-en-3-yl)ethene-1,1-diamine

1-N-(2,2-dimethylpentan-3-yl)-1-N'-(4,4-dimethylpent-1-en-3-yl)ethene-1,1-diamine (PubChem CID 143355572) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-N-(2,2-dimethylpentan-3-yl)-1-N'-(4,4-dimethylpent-1-en-3-yl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N-(2,2-dimethylpentan-3-yl)-1-N'-(4,4-dimethylpent-1-en-3-yl)ethene-1,1-diamine
PubChem CID143355572
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-N-(2,2-dimethylpentan-3-yl)-1-N'-(4,4-dimethylpent-1-en-3-yl)ethene-1,1-diamine
SMILESC=CC(NC(=C)NC(CC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H32N2/c1-10-13(15(4,5)6)17-12(3)18-14(11-2)16(7,8)9/h10,13-14,17-18H,1,3,11H2,2,4-9H3
InChIKeyDZUPRPDJRPISOD-UHFFFAOYSA-N
XLogP4.06
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-N-(2,2-dimethylpentan-3-yl)-1-N'-(4,4-dimethylpent-1-en-3-yl)ethene-1,1-diamine with MolForge

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Related Compounds

N-butan-2-yl-4,4-dimethylpent-1-en-3-amine
CID 89195459
tert-butyl N-(4,4-dimethylpent-1-en-3-yl)carbamate
CID 101062005
3,3-dimethyl-2-[1-(2-oxoethylamino)ethenylamino]butanal
CID 143352660
1-[(1S,5R)-3,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]ethanone;[(2S)-2-[1-(4,4-dimethylpent-1-en-3-ylamino)ethenylamino]-3,3-dimethylbutyl] N-ethylcarbamate;4-ethyl-6-methyl-3-methylidenehept-1-en-2-amine;propane
CID 143354039
1-N'-[1-[(4Z,6Z)-3,8-dimethylcyclonona-4,6-dien-1-yl]but-3-enyl]-1-N-(2,2-dimethylhexan-3-yl)ethene-1,1-diamine
CID 143357455
1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine
CID 143357064
(1E)-2-tert-butyl-3-ethyl-N-methylpenta-1,4-dien-1-amine
CID 134338397
2-tert-butyl-N-methylbut-3-en-1-amine
CID 134342155
N-ethyl-2,2,5-trimethylhex-5-en-3-amine
CID 79179373
5-ethyl-2,2-dimethyl-N-propylheptan-3-amine
CID 82923495
2,2-dimethylhept-6-en-3-ylcarbamic acid
CID 175244688
hydroxy-oxo-pent-1-en-3-ylphosphanium
CID 87733057

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2-dimethylpentan-3-yl)-1-N'-(4,4-dimethylpent-1-en-3-yl)ethene-1,1-diamine?
The IUPAC name of 1-N-(2,2-dimethylpentan-3-yl)-1-N'-(4,4-dimethylpent-1-en-3-yl)ethene-1,1-diamine (CID 143355572) is 1-N-(2,2-dimethylpentan-3-yl)-1-N'-(4,4-dimethylpent-1-en-3-yl)ethene-1,1-diamine.
What is the SMILES notation for 1-N-(2,2-dimethylpentan-3-yl)-1-N'-(4,4-dimethylpent-1-en-3-yl)ethene-1,1-diamine?
The canonical SMILES for 1-N-(2,2-dimethylpentan-3-yl)-1-N'-(4,4-dimethylpent-1-en-3-yl)ethene-1,1-diamine is C=CC(NC(=C)NC(CC)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 1-N-(2,2-dimethylpentan-3-yl)-1-N'-(4,4-dimethylpent-1-en-3-yl)ethene-1,1-diamine?
The InChIKey is DZUPRPDJRPISOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-10-13(15(4,5)6)17-12(3)18-14(11-2)16(7,8)9/h10,13-14,17-18H,1,3,11H2,2,4-9H3.
What are the key properties of 1-N-(2,2-dimethylpentan-3-yl)-1-N'-(4,4-dimethylpent-1-en-3-yl)ethene-1,1-diamine?
1-N-(2,2-dimethylpentan-3-yl)-1-N'-(4,4-dimethylpent-1-en-3-yl)ethene-1,1-diamine has a molecular weight of 252.45 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2-dimethylpentan-3-yl)-1-N'-(4,4-dimethylpent-1-en-3-yl)ethene-1,1-diamine is sourced from PubChem (CID 143355572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).