2-N-methyl-2-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine

C12H26N2 — CID 62568971

IUPAC2-N-methyl-2-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCNCC(C)N(C)CCCCC
InChIInChI=1S/C12H26N2/c1-5-7-8-10-14(4)12(3)11-13-9-6-2/h6,12-13H,2,5,7-11H2,1,3-4H3
InChIKeyRNQBCRHYLFTVPO-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.27
Rot. Bonds9

About 2-N-methyl-2-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine

2-N-methyl-2-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine (PubChem CID 62568971) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-N-methyl-2-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine
PubChem CID62568971
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-N-methyl-2-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCNCC(C)N(C)CCCCC
InChIInChI=1S/C12H26N2/c1-5-7-8-10-14(4)12(3)11-13-9-6-2/h6,12-13H,2,5,7-11H2,1,3-4H3
InChIKeyRNQBCRHYLFTVPO-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-butyl-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62558184
2-N,2-N-diethyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62557121
2-N-methyl-2-N-(4-methylpentan-2-yl)-1-N-prop-2-enylpropane-1,2-diamine
CID 62570558
2-N-methyl-1-N-pentan-2-yl-2-N-pentylpropane-1,2-diamine
CID 62569522
2-N-dodecyl-2-N-methylpropane-1,2-diamine
CID 104556816
2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-pentylpropane-1,2-diamine
CID 62569145
N-prop-2-enyltridecan-1-amine
CID 22467882
2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62569094
3-[methyl-[1-(tetradecylamino)propan-2-yl]amino]propanoic acid
CID 139697689
3-[methyl-[1-(octylamino)propan-2-yl]amino]propanoic acid
CID 139697683
N,N-bis(prop-2-enyl)hexadecan-1-amine;N-prop-2-enylprop-2-en-1-amine
CID 174680920
2-N-butan-2-yl-2-N-ethyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62568961

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine (CID 62568971) is 2-N-methyl-2-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine is C=CCNCC(C)N(C)CCCCC.
What is the InChIKey of 2-N-methyl-2-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine?
The InChIKey is RNQBCRHYLFTVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-7-8-10-14(4)12(3)11-13-9-6-2/h6,12-13H,2,5,7-11H2,1,3-4H3.
What are the key properties of 2-N-methyl-2-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine?
2-N-methyl-2-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-pentyl-1-N-prop-2-enylpropane-1,2-diamine is sourced from PubChem (CID 62568971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).