N-but-3-en-2-yl-N-ethyl-N',2-dimethylpropane-1,3-diamine

C11H24N2 — CID 167204668

IUPACN-but-3-en-2-yl-N-ethyl-N',2-dimethylpropane-1,3-diamine
SMILESC=CC(C)N(CC)CC(C)CNC
InChIInChI=1S/C11H24N2/c1-6-11(4)13(7-2)9-10(3)8-12-5/h6,10-12H,1,7-9H2,2-5H3
InChIKeyVMQUJKLQNPOJBW-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.74
Rot. Bonds7

About N-but-3-en-2-yl-N-ethyl-N',2-dimethylpropane-1,3-diamine

N-but-3-en-2-yl-N-ethyl-N',2-dimethylpropane-1,3-diamine (PubChem CID 167204668) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N-but-3-en-2-yl-N-ethyl-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-but-3-en-2-yl-N-ethyl-N',2-dimethylpropane-1,3-diamine
PubChem CID167204668
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN-but-3-en-2-yl-N-ethyl-N',2-dimethylpropane-1,3-diamine
SMILESC=CC(C)N(CC)CC(C)CNC
InChIInChI=1S/C11H24N2/c1-6-11(4)13(7-2)9-10(3)8-12-5/h6,10-12H,1,7-9H2,2-5H3
InChIKeyVMQUJKLQNPOJBW-UHFFFAOYSA-N
XLogP1.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.74
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

2-[but-3-en-2-yl(ethyl)amino]acetic acid
CID 62381772
1-N,1-N,1-N',1-N'-tetraethylprop-2-ene-1,1-diamine
CID 102472696
(2R,3S)-1-(methylamino)pent-4-ene-2,3-diol
CID 46933718
CID 20692364
CID 20692364
N-[(E)-but-2-enyl]-N,N',2-trimethylpropane-1,3-diamine
CID 107900740
1-(methylamino)-3-[propan-2-yl(propyl)amino]propan-2-ol
CID 43269476
N-(1-methoxypropan-2-yl)-N,N',2-trimethylpropane-1,3-diamine
CID 62429833
2-N,2-N-diethyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62557121
N,N-diethylpenta-3,4-dien-2-amine
CID 57131566
N-(4-methoxybutan-2-yl)-N,N',2-trimethylpropane-1,3-diamine
CID 106915876
3-N-ethyl-1-N,2-dimethyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine
CID 79414159
1-[1-(dimethylamino)propan-2-yl-ethylamino]-3-(methylamino)propan-2-ol
CID 103188299

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-N-ethyl-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of N-but-3-en-2-yl-N-ethyl-N',2-dimethylpropane-1,3-diamine (CID 167204668) is N-but-3-en-2-yl-N-ethyl-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-but-3-en-2-yl-N-ethyl-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for N-but-3-en-2-yl-N-ethyl-N',2-dimethylpropane-1,3-diamine is C=CC(C)N(CC)CC(C)CNC.
What is the InChIKey of N-but-3-en-2-yl-N-ethyl-N',2-dimethylpropane-1,3-diamine?
The InChIKey is VMQUJKLQNPOJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-6-11(4)13(7-2)9-10(3)8-12-5/h6,10-12H,1,7-9H2,2-5H3.
What are the key properties of N-but-3-en-2-yl-N-ethyl-N',2-dimethylpropane-1,3-diamine?
N-but-3-en-2-yl-N-ethyl-N',2-dimethylpropane-1,3-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-N-ethyl-N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 167204668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).