1-N-(2,3-dichloroprop-2-enyl)-1-N,4-dimethylpentane-1,3-diamine

C10H20Cl2N2 — CID 115317840

IUPAC1-N-(2,3-dichloroprop-2-enyl)-1-N,4-dimethylpentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)CC(Cl)=CCl
InChIInChI=1S/C10H20Cl2N2/c1-8(2)10(13)4-5-14(3)7-9(12)6-11/h6,8,10H,4-5,7,13H2,1-3H3
InChIKeyIOQTUABYMGGLDP-UHFFFAOYSA-N
MW239.19 g/mol
LogP2.61
Rot. Bonds6

About 1-N-(2,3-dichloroprop-2-enyl)-1-N,4-dimethylpentane-1,3-diamine

1-N-(2,3-dichloroprop-2-enyl)-1-N,4-dimethylpentane-1,3-diamine (PubChem CID 115317840) has the molecular formula C10H20Cl2N2 and a molecular weight of 239.19 g/mol. Its IUPAC name is 1-N-(2,3-dichloroprop-2-enyl)-1-N,4-dimethylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2,3-dichloroprop-2-enyl)-1-N,4-dimethylpentane-1,3-diamine
PubChem CID115317840
Molecular FormulaC10H20Cl2N2
Molecular Weight239.19 g/mol
Exact Mass238.10
IUPAC Name1-N-(2,3-dichloroprop-2-enyl)-1-N,4-dimethylpentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)CC(Cl)=CCl
InChIInChI=1S/C10H20Cl2N2/c1-8(2)10(13)4-5-14(3)7-9(12)6-11/h6,8,10H,4-5,7,13H2,1-3H3
InChIKeyIOQTUABYMGGLDP-UHFFFAOYSA-N
XLogP2.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-amino-4-methylpentyl)-methylamino]-N-ethyl-N-methylacetamide
CID 115317830
2-[(3-amino-4-methylpentyl)-methylamino]-N-tert-butylacetamide
CID 81490277
2-[(3-amino-4-methylpentyl)-methylamino]-N-(cyclopropylcarbamoyl)acetamide
CID 81490662
3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pentan-3-ol
CID 114496644
1-N,4-dimethyl-1-N-pentylpentane-1,3-diamine
CID 81490182
2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 81491077
2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylphenyl)acetamide
CID 81491089
1-N,4-dimethyl-1-N-pent-3-ynylpentane-1,3-diamine
CID 104809119
2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methoxyphenyl)acetamide
CID 81496851
2-[(3-amino-4-methylpentyl)-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 81491242
N-(3-amino-4-methylpentyl)-N-methylpropanamide
CID 81484424
1-N-[(3,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490653

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,3-dichloroprop-2-enyl)-1-N,4-dimethylpentane-1,3-diamine?
The IUPAC name of 1-N-(2,3-dichloroprop-2-enyl)-1-N,4-dimethylpentane-1,3-diamine (CID 115317840) is 1-N-(2,3-dichloroprop-2-enyl)-1-N,4-dimethylpentane-1,3-diamine.
What is the SMILES notation for 1-N-(2,3-dichloroprop-2-enyl)-1-N,4-dimethylpentane-1,3-diamine?
The canonical SMILES for 1-N-(2,3-dichloroprop-2-enyl)-1-N,4-dimethylpentane-1,3-diamine is CC(C)C(N)CCN(C)CC(Cl)=CCl.
What is the InChIKey of 1-N-(2,3-dichloroprop-2-enyl)-1-N,4-dimethylpentane-1,3-diamine?
The InChIKey is IOQTUABYMGGLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20Cl2N2/c1-8(2)10(13)4-5-14(3)7-9(12)6-11/h6,8,10H,4-5,7,13H2,1-3H3.
What are the key properties of 1-N-(2,3-dichloroprop-2-enyl)-1-N,4-dimethylpentane-1,3-diamine?
1-N-(2,3-dichloroprop-2-enyl)-1-N,4-dimethylpentane-1,3-diamine has a molecular weight of 239.19 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,3-dichloroprop-2-enyl)-1-N,4-dimethylpentane-1,3-diamine is sourced from PubChem (CID 115317840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).