N-ethyl-2-methyl-N-prop-2-ynylprop-2-en-1-amine

C9H15N — CID 130666079

IUPACN-ethyl-2-methyl-N-prop-2-ynylprop-2-en-1-amine
SMILESC#CCN(CC)CC(=C)C
InChIInChI=1S/C9H15N/c1-5-7-10(6-2)8-9(3)4/h1H,3,6-8H2,2,4H3
InChIKeyAEDACCLDIZVVJY-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.52
Rot. Bonds4

About N-ethyl-2-methyl-N-prop-2-ynylprop-2-en-1-amine

N-ethyl-2-methyl-N-prop-2-ynylprop-2-en-1-amine (PubChem CID 130666079) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-prop-2-ynylprop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-prop-2-ynylprop-2-en-1-amine
PubChem CID130666079
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-ethyl-2-methyl-N-prop-2-ynylprop-2-en-1-amine
SMILESC#CCN(CC)CC(=C)C
InChIInChI=1S/C9H15N/c1-5-7-10(6-2)8-9(3)4/h1H,3,6-8H2,2,4H3
InChIKeyAEDACCLDIZVVJY-UHFFFAOYSA-N
XLogP1.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis[ethyl(prop-2-ynyl)amino]propan-2-ol
CID 139342756
2-[ethyl(2-methylprop-2-enyl)amino]acetic acid
CID 60712574
[bis(prop-2-ynyl)amino]methanol
CID 158644240
N-(2-chloroethyl)-N-ethylprop-2-yn-1-amine
CID 55302834
N'-ethyl-N'-(2-methylprop-2-enyl)hexane-1,6-diamine
CID 28599551
2-[ethyl(prop-2-ynyl)amino]-1-thiophen-3-ylethanone
CID 118140915
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid
CID 79274369
3-[3-(diethylamino)propyl-(2-methylprop-2-enyl)amino]propanoic acid
CID 82329754
N',2-diethyl-N'-(2-methylprop-2-enyl)butane-1,4-diamine
CID 81079886
N-[2-(azetidin-3-yl)ethyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 116679302
1-N,3-N-diethyl-1-N-(2-methylprop-2-enyl)butane-1,3-diamine
CID 62834009
2,3,3-trimethylhex-1-en-5-yne
CID 123638102

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-prop-2-ynylprop-2-en-1-amine?
The IUPAC name of N-ethyl-2-methyl-N-prop-2-ynylprop-2-en-1-amine (CID 130666079) is N-ethyl-2-methyl-N-prop-2-ynylprop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-prop-2-ynylprop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-methyl-N-prop-2-ynylprop-2-en-1-amine is C#CCN(CC)CC(=C)C.
What is the InChIKey of N-ethyl-2-methyl-N-prop-2-ynylprop-2-en-1-amine?
The InChIKey is AEDACCLDIZVVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-5-7-10(6-2)8-9(3)4/h1H,3,6-8H2,2,4H3.
What are the key properties of N-ethyl-2-methyl-N-prop-2-ynylprop-2-en-1-amine?
N-ethyl-2-methyl-N-prop-2-ynylprop-2-en-1-amine has a molecular weight of 137.23 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-prop-2-ynylprop-2-en-1-amine is sourced from PubChem (CID 130666079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).