1-N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-N-prop-1-en-2-ylbutane-1,2-diamine

C15H30N2 — CID 134187696

IUPAC1-N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-N-prop-1-en-2-ylbutane-1,2-diamine
SMILESC=C(C)NC(CNC(=C)CC(C)(C)C)C(C)C
InChIInChI=1S/C15H30N2/c1-11(2)14(17-12(3)4)10-16-13(5)9-15(6,7)8/h11,14,16-17H,3,5,9-10H2,1-2,4,6-8H3
InChIKeyPCAAWJGPIUMKER-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.67
Rot. Bonds7

About 1-N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-N-prop-1-en-2-ylbutane-1,2-diamine

1-N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-N-prop-1-en-2-ylbutane-1,2-diamine (PubChem CID 134187696) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-N-prop-1-en-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-N-prop-1-en-2-ylbutane-1,2-diamine
PubChem CID134187696
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-N-prop-1-en-2-ylbutane-1,2-diamine
SMILESC=C(C)NC(CNC(=C)CC(C)(C)C)C(C)C
InChIInChI=1S/C15H30N2/c1-11(2)14(17-12(3)4)10-16-13(5)9-15(6,7)8/h11,14,16-17H,3,5,9-10H2,1-2,4,6-8H3
InChIKeyPCAAWJGPIUMKER-UHFFFAOYSA-N
XLogP3.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-N-prop-1-en-2-ylbutane-1,2-diamine with MolForge

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Related Compounds

2-fluoro-3,3-dimethyl-N-(3-methylbut-1-en-2-yl)butan-1-amine
CID 153602081
N-(4,4-dimethylpent-1-en-2-yl)-1-(3-fluoropropyl)azetidin-3-amine
CID 174197139
1-N,2-N-bis(4,4-dimethylpent-1-en-2-yl)-3,3,3-trifluoropropane-1,2-diamine
CID 174329365
1-(3,3-Dimethylpent-1-en-2-yl)piperazine
CID 18717508
N-butyl-3-methylpent-1-en-2-amine
CID 18717521
3-methyl-N-propan-2-ylpent-1-en-2-amine
CID 57633818
1,7,7-Trimethyl-8-methylidene-1,4-diazocane
CID 57785857
3,4-dimethyl-N-propan-2-ylpent-1-en-2-amine
CID 58181553
2-N-(2-methylpent-1-en-3-yl)-3-N-prop-1-en-2-ylpent-1-ene-2,3-diamine
CID 58987143
N-butyl-3,3-dimethylpent-1-en-2-amine
CID 59096553
(3S)-N-but-1-en-2-yl-4-methyl-2-pyrrolidin-1-ylpent-1-en-3-amine
CID 70645871
N-(3,3-dimethylpent-1-en-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 87103401

Frequently Asked Questions

What is the IUPAC name of 1-N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-N-prop-1-en-2-ylbutane-1,2-diamine?
The IUPAC name of 1-N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-N-prop-1-en-2-ylbutane-1,2-diamine (CID 134187696) is 1-N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-N-prop-1-en-2-ylbutane-1,2-diamine.
What is the SMILES notation for 1-N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-N-prop-1-en-2-ylbutane-1,2-diamine?
The canonical SMILES for 1-N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-N-prop-1-en-2-ylbutane-1,2-diamine is C=C(C)NC(CNC(=C)CC(C)(C)C)C(C)C.
What is the InChIKey of 1-N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-N-prop-1-en-2-ylbutane-1,2-diamine?
The InChIKey is PCAAWJGPIUMKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-11(2)14(17-12(3)4)10-16-13(5)9-15(6,7)8/h11,14,16-17H,3,5,9-10H2,1-2,4,6-8H3.
What are the key properties of 1-N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-N-prop-1-en-2-ylbutane-1,2-diamine?
1-N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-N-prop-1-en-2-ylbutane-1,2-diamine has a molecular weight of 238.42 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-N-prop-1-en-2-ylbutane-1,2-diamine is sourced from PubChem (CID 134187696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).