(5R)-1-N-ethyl-5-N-methylhexane-1,5-diamine

C9H22N2 — CID 166714486

IUPAC(5R)-1-N-ethyl-5-N-methylhexane-1,5-diamine
SMILESCCNCCCC[C@@H](C)NC
InChIInChI=1S/C9H22N2/c1-4-11-8-6-5-7-9(2)10-3/h9-11H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyRWHFHVFESZPXOU-SECBINFHSA-N
MW158.29 g/mol
LogP1.37
Rot. Bonds7

About (5R)-1-N-ethyl-5-N-methylhexane-1,5-diamine

(5R)-1-N-ethyl-5-N-methylhexane-1,5-diamine (PubChem CID 166714486) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is (5R)-1-N-ethyl-5-N-methylhexane-1,5-diamine.

Molecular Properties

Compound Name(5R)-1-N-ethyl-5-N-methylhexane-1,5-diamine
PubChem CID166714486
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name(5R)-1-N-ethyl-5-N-methylhexane-1,5-diamine
SMILESCCNCCCC[C@@H](C)NC
InChIInChI=1S/C9H22N2/c1-4-11-8-6-5-7-9(2)10-3/h9-11H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyRWHFHVFESZPXOU-SECBINFHSA-N
XLogP1.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-5-methylhexan-1-amine;molecular hydrogen
CID 177161269
N-ethyl-N'-(5-methylhexyl)ethane-1,2-diamine
CID 115326127
N-ethyl-N'-(7-methyloctyl)ethane-1,2-diamine
CID 107815747
N-methyltetradecan-2-amine
CID 54073704
N-ethyl-9-methylundecan-1-amine
CID 148817249
N-ethyl-11-methyltridecan-1-amine
CID 167239915
N-ethyl-N'-heptan-2-ylpropane-1,3-diamine
CID 62835218
N-[4-(methylamino)pentyl]formamide
CID 153396942
1-N-[4-[3-(butan-2-ylamino)butylamino]butyl]-3-N-methylbutane-1,3-diamine
CID 153341749
N,N'-diethylpentane-1,5-diamine
CID 15013244
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
5-(ethylamino)pentan-2-ylcarbamic acid
CID 87840492

Frequently Asked Questions

What is the IUPAC name of (5R)-1-N-ethyl-5-N-methylhexane-1,5-diamine?
The IUPAC name of (5R)-1-N-ethyl-5-N-methylhexane-1,5-diamine (CID 166714486) is (5R)-1-N-ethyl-5-N-methylhexane-1,5-diamine.
What is the SMILES notation for (5R)-1-N-ethyl-5-N-methylhexane-1,5-diamine?
The canonical SMILES for (5R)-1-N-ethyl-5-N-methylhexane-1,5-diamine is CCNCCCC[C@@H](C)NC.
What is the InChIKey of (5R)-1-N-ethyl-5-N-methylhexane-1,5-diamine?
The InChIKey is RWHFHVFESZPXOU-SECBINFHSA-N. The full InChI is InChI=1S/C9H22N2/c1-4-11-8-6-5-7-9(2)10-3/h9-11H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of (5R)-1-N-ethyl-5-N-methylhexane-1,5-diamine?
(5R)-1-N-ethyl-5-N-methylhexane-1,5-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-N-ethyl-5-N-methylhexane-1,5-diamine is sourced from PubChem (CID 166714486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).