2-N-methyl-5-N-prop-1-en-2-ylhexane-2,5-diamine

C10H22N2 — CID 89305259

IUPAC2-N-methyl-5-N-prop-1-en-2-ylhexane-2,5-diamine
SMILESC=C(C)NC(C)CCC(C)NC
InChIInChI=1S/C10H22N2/c1-8(2)12-10(4)7-6-9(3)11-5/h9-12H,1,6-7H2,2-5H3
InChIKeyCNRRYTLAVWRWLL-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.89
Rot. Bonds6

About 2-N-methyl-5-N-prop-1-en-2-ylhexane-2,5-diamine

2-N-methyl-5-N-prop-1-en-2-ylhexane-2,5-diamine (PubChem CID 89305259) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-N-methyl-5-N-prop-1-en-2-ylhexane-2,5-diamine.

Molecular Properties

Compound Name2-N-methyl-5-N-prop-1-en-2-ylhexane-2,5-diamine
PubChem CID89305259
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name2-N-methyl-5-N-prop-1-en-2-ylhexane-2,5-diamine
SMILESC=C(C)NC(C)CCC(C)NC
InChIInChI=1S/C10H22N2/c1-8(2)12-10(4)7-6-9(3)11-5/h9-12H,1,6-7H2,2-5H3
InChIKeyCNRRYTLAVWRWLL-UHFFFAOYSA-N
XLogP1.89
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-2-N-(4-fluoropentan-2-yl)prop-1-ene-1,2-diamine
CID 146266307
5,5-difluoro-N-prop-1-en-2-ylheptan-3-amine;ethane
CID 168892541
5-fluoro-N-prop-1-en-2-ylpentan-1-amine
CID 169972047
2-fluoro-1-N-prop-1-en-2-ylcyclohexane-1,4-diamine
CID 178011559
[(2S)-2-(prop-1-en-2-ylamino)cyclohexyl]-propylazanium
CID 134943094
dimethyl-[(1S,2S)-2-(prop-1-en-2-ylamino)cyclohexyl]azanium
CID 135019680
4,4-difluoro-N-prop-1-en-2-ylhexan-3-amine
CID 144884908
5,5-difluoro-N-prop-1-en-2-ylheptan-3-amine
CID 168892542
N-prop-1-en-2-ylcyclohexanamine
CID 12418329
N-but-1-en-2-ylcyclohexanamine
CID 12705416
N'-prop-1-en-2-ylbutane-1,4-diamine
CID 20647369
N-but-1-en-2-ylheptan-1-amine
CID 54488469

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-5-N-prop-1-en-2-ylhexane-2,5-diamine?
The IUPAC name of 2-N-methyl-5-N-prop-1-en-2-ylhexane-2,5-diamine (CID 89305259) is 2-N-methyl-5-N-prop-1-en-2-ylhexane-2,5-diamine.
What is the SMILES notation for 2-N-methyl-5-N-prop-1-en-2-ylhexane-2,5-diamine?
The canonical SMILES for 2-N-methyl-5-N-prop-1-en-2-ylhexane-2,5-diamine is C=C(C)NC(C)CCC(C)NC.
What is the InChIKey of 2-N-methyl-5-N-prop-1-en-2-ylhexane-2,5-diamine?
The InChIKey is CNRRYTLAVWRWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-8(2)12-10(4)7-6-9(3)11-5/h9-12H,1,6-7H2,2-5H3.
What are the key properties of 2-N-methyl-5-N-prop-1-en-2-ylhexane-2,5-diamine?
2-N-methyl-5-N-prop-1-en-2-ylhexane-2,5-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-5-N-prop-1-en-2-ylhexane-2,5-diamine is sourced from PubChem (CID 89305259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).