2-N-[2-(dimethylamino)prop-2-enyl]-3-N-methylbut-1-ene-2,3-diamine

C10H21N3 — CID 142371923

IUPAC2-N-[2-(dimethylamino)prop-2-enyl]-3-N-methylbut-1-ene-2,3-diamine
SMILESC=C(NCC(=C)N(C)C)C(C)NC
InChIInChI=1S/C10H21N3/c1-8(13(5)6)7-12-10(3)9(2)11-4/h9,11-12H,1,3,7H2,2,4-6H3
InChIKeyLQBAGDIFMDVRRL-UHFFFAOYSA-N
MW183.30 g/mol
LogP0.77
Rot. Bonds6

About 2-N-[2-(dimethylamino)prop-2-enyl]-3-N-methylbut-1-ene-2,3-diamine

2-N-[2-(dimethylamino)prop-2-enyl]-3-N-methylbut-1-ene-2,3-diamine (PubChem CID 142371923) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)prop-2-enyl]-3-N-methylbut-1-ene-2,3-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)prop-2-enyl]-3-N-methylbut-1-ene-2,3-diamine
PubChem CID142371923
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name2-N-[2-(dimethylamino)prop-2-enyl]-3-N-methylbut-1-ene-2,3-diamine
SMILESC=C(NCC(=C)N(C)C)C(C)NC
InChIInChI=1S/C10H21N3/c1-8(13(5)6)7-12-10(3)9(2)11-4/h9,11-12H,1,3,7H2,2,4-6H3
InChIKeyLQBAGDIFMDVRRL-UHFFFAOYSA-N
XLogP0.77
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexane;2-N-[2-(dimethylamino)prop-2-enyl]-3-N-methylbut-1-ene-2,3-diamine
CID 142371922
(3R)-3-(methylamino)but-1-en-2-ol
CID 59247912
N,N-dimethyl-3-propan-2-yloxyprop-1-en-2-amine
CID 165408355
(2R)-3-methoxy-N-methylbut-3-en-2-amine
CID 178015260
N,N-dimethylpent-1-en-2-amine;ethane
CID 156729648
N,N-dimethylbut-1-en-2-amine;ethane
CID 177158434
2-(methylamino)-N-propan-2-yl-N-prop-2-enylpropanamide
CID 62638239
2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]prop-2-enoic acid
CID 103247604
N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;ethane
CID 162738491
2-[methyl-[2-(methylamino)propanoyl]amino]acetic acid
CID 62638787
3-[(2S)-2-hydroxypropyl]-1,1-dimethylurea
CID 83038984
2-[[(3S)-3-aminopent-1-en-2-yl]amino]acetic acid
CID 144656113

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)prop-2-enyl]-3-N-methylbut-1-ene-2,3-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)prop-2-enyl]-3-N-methylbut-1-ene-2,3-diamine (CID 142371923) is 2-N-[2-(dimethylamino)prop-2-enyl]-3-N-methylbut-1-ene-2,3-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)prop-2-enyl]-3-N-methylbut-1-ene-2,3-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)prop-2-enyl]-3-N-methylbut-1-ene-2,3-diamine is C=C(NCC(=C)N(C)C)C(C)NC.
What is the InChIKey of 2-N-[2-(dimethylamino)prop-2-enyl]-3-N-methylbut-1-ene-2,3-diamine?
The InChIKey is LQBAGDIFMDVRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-8(13(5)6)7-12-10(3)9(2)11-4/h9,11-12H,1,3,7H2,2,4-6H3.
What are the key properties of 2-N-[2-(dimethylamino)prop-2-enyl]-3-N-methylbut-1-ene-2,3-diamine?
2-N-[2-(dimethylamino)prop-2-enyl]-3-N-methylbut-1-ene-2,3-diamine has a molecular weight of 183.30 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)prop-2-enyl]-3-N-methylbut-1-ene-2,3-diamine is sourced from PubChem (CID 142371923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).