1-N,1-N-diethyl-4-methyl-2-phenylpent-4-ene-1,2-diamine

C16H26N2 — CID 43829790

IUPAC1-N,1-N-diethyl-4-methyl-2-phenylpent-4-ene-1,2-diamine
SMILESC=C(C)CC(N)(CN(CC)CC)c1ccccc1
InChIInChI=1S/C16H26N2/c1-5-18(6-2)13-16(17,12-14(3)4)15-10-8-7-9-11-15/h7-11H,3,5-6,12-13,17H2,1-2,4H3
InChIKeyUNPDLRCHJQYZSB-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.15
Rot. Bonds7

About 1-N,1-N-diethyl-4-methyl-2-phenylpent-4-ene-1,2-diamine

1-N,1-N-diethyl-4-methyl-2-phenylpent-4-ene-1,2-diamine (PubChem CID 43829790) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-methyl-2-phenylpent-4-ene-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-methyl-2-phenylpent-4-ene-1,2-diamine
PubChem CID43829790
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-N,1-N-diethyl-4-methyl-2-phenylpent-4-ene-1,2-diamine
SMILESC=C(C)CC(N)(CN(CC)CC)c1ccccc1
InChIInChI=1S/C16H26N2/c1-5-18(6-2)13-16(17,12-14(3)4)15-10-8-7-9-11-15/h7-11H,3,5-6,12-13,17H2,1-2,4H3
InChIKeyUNPDLRCHJQYZSB-UHFFFAOYSA-N
XLogP3.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.15
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

4-methyl-2-phenyl-1-N,1-N-dipropylpent-4-ene-1,2-diamine
CID 43829791
1-N,1-N-diethyl-2,3-diphenylpropane-1,2-diamine
CID 43829798
1-N,1-N-diethyl-3-(4-methylphenyl)-2-phenylpropane-1,2-diamine
CID 43829802
2-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-1-ol
CID 116695191
2-N,2-N,5-trimethyl-3-phenylhex-5-ene-2,3-diamine
CID 43829541
2-amino-2-phenylpentan-1-ol
CID 61056433
6-methyl-4-phenyl-3-N,3-N-bis(prop-2-enyl)hept-6-ene-3,4-diamine
CID 43829611
3-phenylhexan-3-amine
CID 60794511
3-hydroxy-5-methyl-3-phenylhex-5-en-2-one
CID 11769614
2,4-dimethyl-1-phenylpent-4-en-2-amine;2-methylpropane-2-thiol
CID 145365228
5-methyl-3-phenylhex-5-ene-1,3-diol
CID 90346624
2,4-dimethyl-2-phenylpent-4-enoic acid
CID 69253057

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-methyl-2-phenylpent-4-ene-1,2-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-methyl-2-phenylpent-4-ene-1,2-diamine (CID 43829790) is 1-N,1-N-diethyl-4-methyl-2-phenylpent-4-ene-1,2-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-methyl-2-phenylpent-4-ene-1,2-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-methyl-2-phenylpent-4-ene-1,2-diamine is C=C(C)CC(N)(CN(CC)CC)c1ccccc1.
What is the InChIKey of 1-N,1-N-diethyl-4-methyl-2-phenylpent-4-ene-1,2-diamine?
The InChIKey is UNPDLRCHJQYZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-5-18(6-2)13-16(17,12-14(3)4)15-10-8-7-9-11-15/h7-11H,3,5-6,12-13,17H2,1-2,4H3.
What are the key properties of 1-N,1-N-diethyl-4-methyl-2-phenylpent-4-ene-1,2-diamine?
1-N,1-N-diethyl-4-methyl-2-phenylpent-4-ene-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-methyl-2-phenylpent-4-ene-1,2-diamine is sourced from PubChem (CID 43829790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).