(1E,3R)-N,N-diethyl-3,7-dimethylocta-1,6-dien-1-amine

C14H27N — CID 11042011

IUPAC(1E,3R)-N,N-diethyl-3,7-dimethylocta-1,6-dien-1-amine
SMILESCCN(/C=C/[C@H](C)CCC=C(C)C)CC
InChIInChI=1S/C14H27N/c1-6-15(7-2)12-11-14(5)10-8-9-13(3)4/h9,11-12,14H,6-8,10H2,1-5H3/b12-11+/t14-/m1/s1
InChIKeyZOFWBOFWZMFYCB-GCZGRYASSA-N
MW209.38 g/mol
LogP4.22
Rot. Bonds7

About (1E,3R)-N,N-diethyl-3,7-dimethylocta-1,6-dien-1-amine

(1E,3R)-N,N-diethyl-3,7-dimethylocta-1,6-dien-1-amine (PubChem CID 11042011) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (1E,3R)-N,N-diethyl-3,7-dimethylocta-1,6-dien-1-amine.

Molecular Properties

Compound Name(1E,3R)-N,N-diethyl-3,7-dimethylocta-1,6-dien-1-amine
PubChem CID11042011
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(1E,3R)-N,N-diethyl-3,7-dimethylocta-1,6-dien-1-amine
SMILESCCN(/C=C/[C@H](C)CCC=C(C)C)CC
InChIInChI=1S/C14H27N/c1-6-15(7-2)12-11-14(5)10-8-9-13(3)4/h9,11-12,14H,6-8,10H2,1-5H3/b12-11+/t14-/m1/s1
InChIKeyZOFWBOFWZMFYCB-GCZGRYASSA-N
XLogP4.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1E,3R)-N,N-diethyl-3,7-dimethylocta-1,6-dien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(3S)-N,N-diethyl-3,7,11-trimethyldodeca-1,6,10-trien-1-amine
CID 123394667
1-bromo-3,7-dimethylocta-1,6-diene
CID 154265835
(2Z)-4,8-dimethylnona-2,7-dienenitrile
CID 24972380
2,6-dimethylhept-5-enal
CID 158364508
ethyl (2E)-4,8-dimethylnona-2,7-dienoate
CID 11830711
(6E,11E)-2,6,10-trimethyltrideca-2,6,11-triene
CID 148658393
(10S)-2,6,10-trimethyltrideca-2,6,11-triene
CID 57030104
1-diethoxyphosphoryl-3,7-dimethylocta-1,6-diene
CID 123175625
N,N-bis(6-methylhept-5-en-2-yl)formamide
CID 2867109
(3E)-5,9,13-trimethyltetradeca-3,8,12-trien-2-one
CID 91460202
methyl 5,9-dimethyldeca-3,8-dienoate
CID 71334771
butyl 4,8-dimethylnona-2,7-dienoate
CID 123347847

Frequently Asked Questions

What is the IUPAC name of (1E,3R)-N,N-diethyl-3,7-dimethylocta-1,6-dien-1-amine?
The IUPAC name of (1E,3R)-N,N-diethyl-3,7-dimethylocta-1,6-dien-1-amine (CID 11042011) is (1E,3R)-N,N-diethyl-3,7-dimethylocta-1,6-dien-1-amine.
What is the SMILES notation for (1E,3R)-N,N-diethyl-3,7-dimethylocta-1,6-dien-1-amine?
The canonical SMILES for (1E,3R)-N,N-diethyl-3,7-dimethylocta-1,6-dien-1-amine is CCN(/C=C/[C@H](C)CCC=C(C)C)CC.
What is the InChIKey of (1E,3R)-N,N-diethyl-3,7-dimethylocta-1,6-dien-1-amine?
The InChIKey is ZOFWBOFWZMFYCB-GCZGRYASSA-N. The full InChI is InChI=1S/C14H27N/c1-6-15(7-2)12-11-14(5)10-8-9-13(3)4/h9,11-12,14H,6-8,10H2,1-5H3/b12-11+/t14-/m1/s1.
What are the key properties of (1E,3R)-N,N-diethyl-3,7-dimethylocta-1,6-dien-1-amine?
(1E,3R)-N,N-diethyl-3,7-dimethylocta-1,6-dien-1-amine has a molecular weight of 209.38 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3R)-N,N-diethyl-3,7-dimethylocta-1,6-dien-1-amine is sourced from PubChem (CID 11042011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).