2-N,2-N,5-trimethyl-3-phenylhex-5-ene-2,3-diamine

C15H24N2 — CID 43829541

IUPAC2-N,2-N,5-trimethyl-3-phenylhex-5-ene-2,3-diamine
SMILESC=C(C)CC(N)(c1ccccc1)C(C)N(C)C
InChIInChI=1S/C15H24N2/c1-12(2)11-15(16,13(3)17(4)5)14-9-7-6-8-10-14/h6-10,13H,1,11,16H2,2-5H3
InChIKeyDVIDPCHJPIJINR-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.76
Rot. Bonds5

About 2-N,2-N,5-trimethyl-3-phenylhex-5-ene-2,3-diamine

2-N,2-N,5-trimethyl-3-phenylhex-5-ene-2,3-diamine (PubChem CID 43829541) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-N,2-N,5-trimethyl-3-phenylhex-5-ene-2,3-diamine.

Molecular Properties

Compound Name2-N,2-N,5-trimethyl-3-phenylhex-5-ene-2,3-diamine
PubChem CID43829541
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-N,2-N,5-trimethyl-3-phenylhex-5-ene-2,3-diamine
SMILESC=C(C)CC(N)(c1ccccc1)C(C)N(C)C
InChIInChI=1S/C15H24N2/c1-12(2)11-15(16,13(3)17(4)5)14-9-7-6-8-10-14/h6-10,13H,1,11,16H2,2-5H3
InChIKeyDVIDPCHJPIJINR-UHFFFAOYSA-N
XLogP2.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-N,3-N-dimethyl-1,2-diphenylbutane-2,3-diamine
CID 43829549
6-methyl-4-phenyl-3-N,3-N-bis(prop-2-enyl)hept-6-ene-3,4-diamine
CID 43829611
1-N,1-N-diethyl-4-methyl-2-phenylpent-4-ene-1,2-diamine
CID 43829790
2-amino-3-methyl-2-phenylbutan-1-ol
CID 61056437
N,2-dimethyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
CID 14958608
4-methyl-2-phenyl-1-N,1-N-dipropylpent-4-ene-1,2-diamine
CID 43829791
3-hydroxy-N,N,5-trimethyl-3-phenylhex-5-enamide
CID 102147657
3-hydroxy-5-methyl-3-phenylhex-5-en-2-one
CID 11769614
3-(4-fluorophenyl)-2-N,2-N-dimethylpentane-2,3-diamine
CID 43830303
3-(4-chlorophenyl)-2-N,2-N-dimethylhex-5-ene-2,3-diamine
CID 43830754
3,5-dimethyl-3-phenylhex-5-en-2-one
CID 59318271
2,4-dimethyl-2-phenylpent-4-enoic acid
CID 69253057

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,5-trimethyl-3-phenylhex-5-ene-2,3-diamine?
The IUPAC name of 2-N,2-N,5-trimethyl-3-phenylhex-5-ene-2,3-diamine (CID 43829541) is 2-N,2-N,5-trimethyl-3-phenylhex-5-ene-2,3-diamine.
What is the SMILES notation for 2-N,2-N,5-trimethyl-3-phenylhex-5-ene-2,3-diamine?
The canonical SMILES for 2-N,2-N,5-trimethyl-3-phenylhex-5-ene-2,3-diamine is C=C(C)CC(N)(c1ccccc1)C(C)N(C)C.
What is the InChIKey of 2-N,2-N,5-trimethyl-3-phenylhex-5-ene-2,3-diamine?
The InChIKey is DVIDPCHJPIJINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12(2)11-15(16,13(3)17(4)5)14-9-7-6-8-10-14/h6-10,13H,1,11,16H2,2-5H3.
What are the key properties of 2-N,2-N,5-trimethyl-3-phenylhex-5-ene-2,3-diamine?
2-N,2-N,5-trimethyl-3-phenylhex-5-ene-2,3-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,5-trimethyl-3-phenylhex-5-ene-2,3-diamine is sourced from PubChem (CID 43829541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).