2,5-dimethyl-N-propylhex-1-en-3-amine

C11H23N — CID 79189953

IUPAC2,5-dimethyl-N-propylhex-1-en-3-amine
SMILESC=C(C)C(CC(C)C)NCCC
InChIInChI=1S/C11H23N/c1-6-7-12-11(10(4)5)8-9(2)3/h9,11-12H,4,6-8H2,1-3,5H3
InChIKeyYXALQLNXKNLYCT-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.98
Rot. Bonds6

About 2,5-dimethyl-N-propylhex-1-en-3-amine

2,5-dimethyl-N-propylhex-1-en-3-amine (PubChem CID 79189953) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2,5-dimethyl-N-propylhex-1-en-3-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-propylhex-1-en-3-amine
PubChem CID79189953
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2,5-dimethyl-N-propylhex-1-en-3-amine
SMILESC=C(C)C(CC(C)C)NCCC
InChIInChI=1S/C11H23N/c1-6-7-12-11(10(4)5)8-9(2)3/h9,11-12H,4,6-8H2,1-3,5H3
InChIKeyYXALQLNXKNLYCT-UHFFFAOYSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,5,7,7-tetramethyl-N-propyloct-1-en-3-amine
CID 105005536
3-methyl-N-propylbut-3-en-2-amine
CID 79177488
(3S)-N,2,5-trimethylhex-1-en-3-amine
CID 88572418
1-ethylsulfanyl-3-methyl-N-propylbut-3-en-2-amine
CID 79178395
(3S)-2-methyl-5-methylsulfanyl-N-propylpent-1-en-3-amine
CID 89375942
(5R)-2,3,3,7-tetramethyl-5-(propylamino)octan-4-one
CID 163455500
1-(1,3-dioxolan-2-yl)-3-methyl-N-propylbut-3-en-2-amine
CID 103546934
3-methyl-1-phenyl-N-propylbut-3-en-2-amine
CID 79191049
3,5-bis(propylamino)heptane-2,6-dione
CID 21339708
1-(2-bromophenyl)-3-methyl-N-propylbut-3-en-2-amine
CID 79190752
1-(1,1-dioxothiolan-3-yl)-3-methyl-N-propylbut-3-en-2-amine
CID 105163585
2-methyl-1-(4-propan-2-ylcyclohexyl)-N-propylprop-2-en-1-amine
CID 79178837

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-propylhex-1-en-3-amine?
The IUPAC name of 2,5-dimethyl-N-propylhex-1-en-3-amine (CID 79189953) is 2,5-dimethyl-N-propylhex-1-en-3-amine.
What is the SMILES notation for 2,5-dimethyl-N-propylhex-1-en-3-amine?
The canonical SMILES for 2,5-dimethyl-N-propylhex-1-en-3-amine is C=C(C)C(CC(C)C)NCCC.
What is the InChIKey of 2,5-dimethyl-N-propylhex-1-en-3-amine?
The InChIKey is YXALQLNXKNLYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-6-7-12-11(10(4)5)8-9(2)3/h9,11-12H,4,6-8H2,1-3,5H3.
What are the key properties of 2,5-dimethyl-N-propylhex-1-en-3-amine?
2,5-dimethyl-N-propylhex-1-en-3-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 2,5-dimethyl-N-propylhex-1-en-3-amine is sourced from PubChem (CID 79189953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).