(1R)-1-N',1-N'-dimethylpropane-1,1-diamine

C5H14N2 — CID 92569177

IUPAC(1R)-1-N',1-N'-dimethylpropane-1,1-diamine
SMILESCC[C@H](N)N(C)C
InChIInChI=1S/C5H14N2/c1-4-5(6)7(2)3/h5H,4,6H2,1-3H3/t5-/m1/s1
InChIKeyOOFAEFCMEHZNGP-RXMQYKEDSA-N
MW102.18 g/mol
LogP0.24
Rot. Bonds2

About (1R)-1-N',1-N'-dimethylpropane-1,1-diamine

(1R)-1-N',1-N'-dimethylpropane-1,1-diamine (PubChem CID 92569177) has the molecular formula C5H14N2 and a molecular weight of 102.18 g/mol. Its IUPAC name is (1R)-1-N',1-N'-dimethylpropane-1,1-diamine.

Molecular Properties

Compound Name(1R)-1-N',1-N'-dimethylpropane-1,1-diamine
PubChem CID92569177
Molecular FormulaC5H14N2
Molecular Weight102.18 g/mol
Exact Mass102.12
IUPAC Name(1R)-1-N',1-N'-dimethylpropane-1,1-diamine
SMILESCC[C@H](N)N(C)C
InChIInChI=1S/C5H14N2/c1-4-5(6)7(2)3/h5H,4,6H2,1-3H3/t5-/m1/s1
InChIKeyOOFAEFCMEHZNGP-RXMQYKEDSA-N
XLogP0.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.18
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-N',1-N'-dimethylpropane-1,1-diamine;2-hydroxypropanoic acid
CID 87204764
1-N'-ethyl-1-N'-methylpropane-1,1-diamine
CID 18987876
1-[methyl(methylamino)amino]propan-1-amine
CID 170033538
1-N',1-N'-dimethylpentane-1,1-diamine
CID 18183747
1-N',1-N'-dimethylhexane-1,1-diamine
CID 11857682
pentan-3-amine;hydroiodide
CID 173436389
1-chloropropan-1-amine;N,N-dimethylmethanamine
CID 87947838
1-N'-(3-aminopropyl)-1-N'-methylpropane-1,1-diamine
CID 22987584
1-chloropropylphosphane;hydrochloride
CID 174764459
1-iodopropylphosphane;hydroiodide
CID 173025717
hexane-3,4-diamine
CID 12656175
2-N,2-N-dimethylbutane-1,2-diamine;dihydrochloride
CID 43810640

Frequently Asked Questions

What is the IUPAC name of (1R)-1-N',1-N'-dimethylpropane-1,1-diamine?
The IUPAC name of (1R)-1-N',1-N'-dimethylpropane-1,1-diamine (CID 92569177) is (1R)-1-N',1-N'-dimethylpropane-1,1-diamine.
What is the SMILES notation for (1R)-1-N',1-N'-dimethylpropane-1,1-diamine?
The canonical SMILES for (1R)-1-N',1-N'-dimethylpropane-1,1-diamine is CC[C@H](N)N(C)C.
What is the InChIKey of (1R)-1-N',1-N'-dimethylpropane-1,1-diamine?
The InChIKey is OOFAEFCMEHZNGP-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H14N2/c1-4-5(6)7(2)3/h5H,4,6H2,1-3H3/t5-/m1/s1.
What are the key properties of (1R)-1-N',1-N'-dimethylpropane-1,1-diamine?
(1R)-1-N',1-N'-dimethylpropane-1,1-diamine has a molecular weight of 102.18 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-N',1-N'-dimethylpropane-1,1-diamine is sourced from PubChem (CID 92569177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).