(E)-2,4-dimethyl-N-propylhex-2-en-1-amine

C11H23N — CID 79340919

IUPAC(E)-2,4-dimethyl-N-propylhex-2-en-1-amine
SMILESCCCNC/C(C)=C/C(C)CC
InChIInChI=1S/C11H23N/c1-5-7-12-9-11(4)8-10(3)6-2/h8,10,12H,5-7,9H2,1-4H3/b11-8+
InChIKeyWWDPHWHTAJLOBD-DHZHZOJOSA-N
MW169.31 g/mol
LogP2.98
Rot. Bonds6

About (E)-2,4-dimethyl-N-propylhex-2-en-1-amine

(E)-2,4-dimethyl-N-propylhex-2-en-1-amine (PubChem CID 79340919) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (E)-2,4-dimethyl-N-propylhex-2-en-1-amine.

Molecular Properties

Compound Name(E)-2,4-dimethyl-N-propylhex-2-en-1-amine
PubChem CID79340919
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(E)-2,4-dimethyl-N-propylhex-2-en-1-amine
SMILESCCCNC/C(C)=C/C(C)CC
InChIInChI=1S/C11H23N/c1-5-7-12-9-11(4)8-10(3)6-2/h8,10,12H,5-7,9H2,1-4H3/b11-8+
InChIKeyWWDPHWHTAJLOBD-DHZHZOJOSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(E,5S)-3,5-dimethylhept-3-ene
CID 25021557
N-ethyl-5-methoxy-2,4-dimethylpent-2-en-1-amine
CID 104881853
4,6-dimethyloct-4-enal
CID 71411187
(4R)-2,4-dimethylhex-2-ene
CID 142611901
2,4-diethyl-N-propylhex-2-en-1-amine
CID 79329773
(E)-4-methyl-N-propan-2-ylhex-2-en-2-amine
CID 166949903
3-(chloromethyl)-2,5-dimethylhept-3-ene
CID 115278020
N-butyl-2-methylbut-2-en-1-amine
CID 76568540
2-methyl-3-(4-propan-2-yloxyphenyl)-N-propylprop-2-en-1-amine
CID 79340910
2,4-dimethyl-N-(2-methylpropyl)pent-2-en-1-amine
CID 79341169
(Z)-N,4-dimethyl-2-propan-2-ylhex-2-en-1-amine
CID 166998767
(2Z)-N,4,6-trimethylocta-2,4-dien-3-amine
CID 166865760

Frequently Asked Questions

What is the IUPAC name of (E)-2,4-dimethyl-N-propylhex-2-en-1-amine?
The IUPAC name of (E)-2,4-dimethyl-N-propylhex-2-en-1-amine (CID 79340919) is (E)-2,4-dimethyl-N-propylhex-2-en-1-amine.
What is the SMILES notation for (E)-2,4-dimethyl-N-propylhex-2-en-1-amine?
The canonical SMILES for (E)-2,4-dimethyl-N-propylhex-2-en-1-amine is CCCNC/C(C)=C/C(C)CC.
What is the InChIKey of (E)-2,4-dimethyl-N-propylhex-2-en-1-amine?
The InChIKey is WWDPHWHTAJLOBD-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H23N/c1-5-7-12-9-11(4)8-10(3)6-2/h8,10,12H,5-7,9H2,1-4H3/b11-8+.
What are the key properties of (E)-2,4-dimethyl-N-propylhex-2-en-1-amine?
(E)-2,4-dimethyl-N-propylhex-2-en-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,4-dimethyl-N-propylhex-2-en-1-amine is sourced from PubChem (CID 79340919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).