(4S)-3-N-ethyl-3-N,3-dimethylhexa-1,5-diene-3,4-diamine

C10H20N2 — CID 135295712

IUPAC(4S)-3-N-ethyl-3-N,3-dimethylhexa-1,5-diene-3,4-diamine
SMILESC=C[C@H](N)C(C)(C=C)N(C)CC
InChIInChI=1S/C10H20N2/c1-6-9(11)10(4,7-2)12(5)8-3/h6-7,9H,1-2,8,11H2,3-5H3/t9-,10?/m0/s1
InChIKeyFRZAJPSNHCMDIB-RGURZIINSA-N
MW168.28 g/mol
LogP1.40
Rot. Bonds5

About (4S)-3-N-ethyl-3-N,3-dimethylhexa-1,5-diene-3,4-diamine

(4S)-3-N-ethyl-3-N,3-dimethylhexa-1,5-diene-3,4-diamine (PubChem CID 135295712) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (4S)-3-N-ethyl-3-N,3-dimethylhexa-1,5-diene-3,4-diamine.

Molecular Properties

Compound Name(4S)-3-N-ethyl-3-N,3-dimethylhexa-1,5-diene-3,4-diamine
PubChem CID135295712
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(4S)-3-N-ethyl-3-N,3-dimethylhexa-1,5-diene-3,4-diamine
SMILESC=C[C@H](N)C(C)(C=C)N(C)CC
InChIInChI=1S/C10H20N2/c1-6-9(11)10(4,7-2)12(5)8-3/h6-7,9H,1-2,8,11H2,3-5H3/t9-,10?/m0/s1
InChIKeyFRZAJPSNHCMDIB-RGURZIINSA-N
XLogP1.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.40
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

4-N,4-N,4-triethylhex-1-ene-3,4-diamine
CID 79061790
4,4-dimethyltricos-1-en-3-amine
CID 175148095
4,4-dimethylhenicos-1-en-3-amine;hydrobromide
CID 175140594
3-[tert-butyl(ethyl)amino]pent-4-enylidenetungsten
CID 58828839
4,4-dimethylpentadec-1-en-3-amine;hydrochloride
CID 175151339
(2R)-3-ethyl-3-methylpent-4-en-2-amine
CID 143354853
(E)-but-1-en-1-ol;2-methylbut-3-en-2-ol
CID 141182868
2-amino-2-methyl-4-[methyl(propan-2-yl)amino]pentan-1-ol
CID 64796081
N-ethyl-N-methyl-2-phenylpent-4-en-2-amine
CID 174778712
ethene;N-ethyl-N-methylpropan-2-amine
CID 144977253
2-N-ethyl-2-N'-[[ethyl(methyl)amino]methyl]-2-N,2-N'-dimethylpropane-2,2-diamine
CID 166986186
N-ethyl-N,2-dimethylhexan-2-amine
CID 87916195

Frequently Asked Questions

What is the IUPAC name of (4S)-3-N-ethyl-3-N,3-dimethylhexa-1,5-diene-3,4-diamine?
The IUPAC name of (4S)-3-N-ethyl-3-N,3-dimethylhexa-1,5-diene-3,4-diamine (CID 135295712) is (4S)-3-N-ethyl-3-N,3-dimethylhexa-1,5-diene-3,4-diamine.
What is the SMILES notation for (4S)-3-N-ethyl-3-N,3-dimethylhexa-1,5-diene-3,4-diamine?
The canonical SMILES for (4S)-3-N-ethyl-3-N,3-dimethylhexa-1,5-diene-3,4-diamine is C=C[C@H](N)C(C)(C=C)N(C)CC.
What is the InChIKey of (4S)-3-N-ethyl-3-N,3-dimethylhexa-1,5-diene-3,4-diamine?
The InChIKey is FRZAJPSNHCMDIB-RGURZIINSA-N. The full InChI is InChI=1S/C10H20N2/c1-6-9(11)10(4,7-2)12(5)8-3/h6-7,9H,1-2,8,11H2,3-5H3/t9-,10?/m0/s1.
What are the key properties of (4S)-3-N-ethyl-3-N,3-dimethylhexa-1,5-diene-3,4-diamine?
(4S)-3-N-ethyl-3-N,3-dimethylhexa-1,5-diene-3,4-diamine has a molecular weight of 168.28 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-N-ethyl-3-N,3-dimethylhexa-1,5-diene-3,4-diamine is sourced from PubChem (CID 135295712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).