1-N,1-N,4-trimethyl-2-N-prop-2-enylpentane-1,2-diamine

C11H24N2 — CID 62140508

IUPAC1-N,1-N,4-trimethyl-2-N-prop-2-enylpentane-1,2-diamine
SMILESC=CCNC(CC(C)C)CN(C)C
InChIInChI=1S/C11H24N2/c1-6-7-12-11(8-10(2)3)9-13(4)5/h6,10-12H,1,7-9H2,2-5H3
InChIKeyYEYPFWQACOCPRA-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.74
Rot. Bonds7

About 1-N,1-N,4-trimethyl-2-N-prop-2-enylpentane-1,2-diamine

1-N,1-N,4-trimethyl-2-N-prop-2-enylpentane-1,2-diamine (PubChem CID 62140508) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 1-N,1-N,4-trimethyl-2-N-prop-2-enylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,4-trimethyl-2-N-prop-2-enylpentane-1,2-diamine
PubChem CID62140508
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name1-N,1-N,4-trimethyl-2-N-prop-2-enylpentane-1,2-diamine
SMILESC=CCNC(CC(C)C)CN(C)C
InChIInChI=1S/C11H24N2/c1-6-7-12-11(8-10(2)3)9-13(4)5/h6,10-12H,1,7-9H2,2-5H3
InChIKeyYEYPFWQACOCPRA-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

(Z)-4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-2-methylbut-2-enoic acid
CID 103244192
2-N-[2-(tert-butylamino)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 107445286
2-N-(1-cyclopropylpropan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 115716711
1-N,1-N,4-trimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine
CID 114015010
2-N-(3-ethylsulfonylpropyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 65093049
2-N-(1-cyclobutylpropan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 115716709
N-prop-2-enylpropan-2-amine
CID 159979595
N-prop-2-enylpropan-2-amine
CID 520711
5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pentanoic acid
CID 103244197
2-N-(1-cyclopentylethyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 62632470
1-N,1-N,4-trimethyl-2-N-[(4-propan-2-yloxyphenyl)methyl]pentane-1,2-diamine
CID 43792387
1-N,1-N,2-N-trimethylpent-4-ene-1,2-diamine
CID 79093787

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-trimethyl-2-N-prop-2-enylpentane-1,2-diamine?
The IUPAC name of 1-N,1-N,4-trimethyl-2-N-prop-2-enylpentane-1,2-diamine (CID 62140508) is 1-N,1-N,4-trimethyl-2-N-prop-2-enylpentane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,4-trimethyl-2-N-prop-2-enylpentane-1,2-diamine?
The canonical SMILES for 1-N,1-N,4-trimethyl-2-N-prop-2-enylpentane-1,2-diamine is C=CCNC(CC(C)C)CN(C)C.
What is the InChIKey of 1-N,1-N,4-trimethyl-2-N-prop-2-enylpentane-1,2-diamine?
The InChIKey is YEYPFWQACOCPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-6-7-12-11(8-10(2)3)9-13(4)5/h6,10-12H,1,7-9H2,2-5H3.
What are the key properties of 1-N,1-N,4-trimethyl-2-N-prop-2-enylpentane-1,2-diamine?
1-N,1-N,4-trimethyl-2-N-prop-2-enylpentane-1,2-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 1-N,1-N,4-trimethyl-2-N-prop-2-enylpentane-1,2-diamine is sourced from PubChem (CID 62140508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).