N',N'-dimethylpropane-1,3-diamine;4-methylpentan-2-amine

C11H29N3 — CID 19050558

IUPACN',N'-dimethylpropane-1,3-diamine;4-methylpentan-2-amine
SMILESCC(C)CC(C)N.CN(C)CCCN
InChIInChI=1S/C6H15N.C5H14N2/c1-5(2)4-6(3)7;1-7(2)5-3-4-6/h5-6H,4,7H2,1-3H3;3-6H2,1-2H3
InChIKeyMRHWBOZJJGCIHC-UHFFFAOYSA-N
MW203.37 g/mol
LogP1.28
Rot. Bonds5

About N',N'-dimethylpropane-1,3-diamine;4-methylpentan-2-amine

N',N'-dimethylpropane-1,3-diamine;4-methylpentan-2-amine (PubChem CID 19050558) has the molecular formula C11H29N3 and a molecular weight of 203.37 g/mol. Its IUPAC name is N',N'-dimethylpropane-1,3-diamine;4-methylpentan-2-amine.

Molecular Properties

Compound NameN',N'-dimethylpropane-1,3-diamine;4-methylpentan-2-amine
PubChem CID19050558
Molecular FormulaC11H29N3
Molecular Weight203.37 g/mol
Exact Mass203.24
IUPAC NameN',N'-dimethylpropane-1,3-diamine;4-methylpentan-2-amine
SMILESCC(C)CC(C)N.CN(C)CCCN
InChIInChI=1S/C6H15N.C5H14N2/c1-5(2)4-6(3)7;1-7(2)5-3-4-6/h5-6H,4,7H2,1-3H3;3-6H2,1-2H3
InChIKeyMRHWBOZJJGCIHC-UHFFFAOYSA-N
XLogP1.28
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.37
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethylpropane-1,3-diamine;4-methylpentan-2-amine?
The IUPAC name of N',N'-dimethylpropane-1,3-diamine;4-methylpentan-2-amine (CID 19050558) is N',N'-dimethylpropane-1,3-diamine;4-methylpentan-2-amine.
What is the SMILES notation for N',N'-dimethylpropane-1,3-diamine;4-methylpentan-2-amine?
The canonical SMILES for N',N'-dimethylpropane-1,3-diamine;4-methylpentan-2-amine is CC(C)CC(C)N.CN(C)CCCN.
What is the InChIKey of N',N'-dimethylpropane-1,3-diamine;4-methylpentan-2-amine?
The InChIKey is MRHWBOZJJGCIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C5H14N2/c1-5(2)4-6(3)7;1-7(2)5-3-4-6/h5-6H,4,7H2,1-3H3;3-6H2,1-2H3.
What are the key properties of N',N'-dimethylpropane-1,3-diamine;4-methylpentan-2-amine?
N',N'-dimethylpropane-1,3-diamine;4-methylpentan-2-amine has a molecular weight of 203.37 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethylpropane-1,3-diamine;4-methylpentan-2-amine is sourced from PubChem (CID 19050558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).