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

C16H33N3 — CID 142371922

IUPACcyclohexane;2-N-[2-(dimethylamino)prop-2-enyl]-3-N-methylbut-1-ene-2,3-diamine
SMILESC1CCCCC1.C=C(NCC(=C)N(C)C)C(C)NC
InChIInChI=1S/C10H21N3.C6H12/c1-8(13(5)6)7-12-10(3)9(2)11-4;1-2-4-6-5-3-1/h9,11-12H,1,3,7H2,2,4-6H3;1-6H2
InChIKeyZNFSGTXSPMICLK-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.11
Rot. Bonds6

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

cyclohexane;2-N-[2-(dimethylamino)prop-2-enyl]-3-N-methylbut-1-ene-2,3-diamine (PubChem CID 142371922) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is cyclohexane;2-N-[2-(dimethylamino)prop-2-enyl]-3-N-methylbut-1-ene-2,3-diamine.

Molecular Properties

Compound Namecyclohexane;2-N-[2-(dimethylamino)prop-2-enyl]-3-N-methylbut-1-ene-2,3-diamine
PubChem CID142371922
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Namecyclohexane;2-N-[2-(dimethylamino)prop-2-enyl]-3-N-methylbut-1-ene-2,3-diamine
SMILESC1CCCCC1.C=C(NCC(=C)N(C)C)C(C)NC
InChIInChI=1S/C10H21N3.C6H12/c1-8(13(5)6)7-12-10(3)9(2)11-4;1-2-4-6-5-3-1/h9,11-12H,1,3,7H2,2,4-6H3;1-6H2
InChIKeyZNFSGTXSPMICLK-UHFFFAOYSA-N
XLogP3.11
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;2-N-[2-(dimethylamino)prop-2-enyl]-3-N-methylbut-1-ene-2,3-diamine?
The IUPAC name of cyclohexane;2-N-[2-(dimethylamino)prop-2-enyl]-3-N-methylbut-1-ene-2,3-diamine (CID 142371922) is cyclohexane;2-N-[2-(dimethylamino)prop-2-enyl]-3-N-methylbut-1-ene-2,3-diamine.
What is the SMILES notation for cyclohexane;2-N-[2-(dimethylamino)prop-2-enyl]-3-N-methylbut-1-ene-2,3-diamine?
The canonical SMILES for cyclohexane;2-N-[2-(dimethylamino)prop-2-enyl]-3-N-methylbut-1-ene-2,3-diamine is C1CCCCC1.C=C(NCC(=C)N(C)C)C(C)NC.
What is the InChIKey of cyclohexane;2-N-[2-(dimethylamino)prop-2-enyl]-3-N-methylbut-1-ene-2,3-diamine?
The InChIKey is ZNFSGTXSPMICLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3.C6H12/c1-8(13(5)6)7-12-10(3)9(2)11-4;1-2-4-6-5-3-1/h9,11-12H,1,3,7H2,2,4-6H3;1-6H2.
What are the key properties of cyclohexane;2-N-[2-(dimethylamino)prop-2-enyl]-3-N-methylbut-1-ene-2,3-diamine?
cyclohexane;2-N-[2-(dimethylamino)prop-2-enyl]-3-N-methylbut-1-ene-2,3-diamine has a molecular weight of 267.46 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;2-N-[2-(dimethylamino)prop-2-enyl]-3-N-methylbut-1-ene-2,3-diamine is sourced from PubChem (CID 142371922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).