(4R)-N,4-diethyl-7-methyloct-7-en-1-amine

C13H27N — CID 144585120

IUPAC(4R)-N,4-diethyl-7-methyloct-7-en-1-amine
SMILESC=C(C)CC[C@@H](CC)CCCNCC
InChIInChI=1S/C13H27N/c1-5-13(10-9-12(3)4)8-7-11-14-6-2/h13-14H,3,5-11H2,1-2,4H3/t13-/m0/s1
InChIKeyFVQQVBPUWYKXRH-ZDUSSCGKSA-N
MW197.37 g/mol
LogP3.76
Rot. Bonds9

About (4R)-N,4-diethyl-7-methyloct-7-en-1-amine

(4R)-N,4-diethyl-7-methyloct-7-en-1-amine (PubChem CID 144585120) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is (4R)-N,4-diethyl-7-methyloct-7-en-1-amine.

Molecular Properties

Compound Name(4R)-N,4-diethyl-7-methyloct-7-en-1-amine
PubChem CID144585120
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name(4R)-N,4-diethyl-7-methyloct-7-en-1-amine
SMILESC=C(C)CC[C@@H](CC)CCCNCC
InChIInChI=1S/C13H27N/c1-5-13(10-9-12(3)4)8-7-11-14-6-2/h13-14H,3,5-11H2,1-2,4H3/t13-/m0/s1
InChIKeyFVQQVBPUWYKXRH-ZDUSSCGKSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-N,4-diethyl-7-methyloct-7-en-1-amine?
The IUPAC name of (4R)-N,4-diethyl-7-methyloct-7-en-1-amine (CID 144585120) is (4R)-N,4-diethyl-7-methyloct-7-en-1-amine.
What is the SMILES notation for (4R)-N,4-diethyl-7-methyloct-7-en-1-amine?
The canonical SMILES for (4R)-N,4-diethyl-7-methyloct-7-en-1-amine is C=C(C)CC[C@@H](CC)CCCNCC.
What is the InChIKey of (4R)-N,4-diethyl-7-methyloct-7-en-1-amine?
The InChIKey is FVQQVBPUWYKXRH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H27N/c1-5-13(10-9-12(3)4)8-7-11-14-6-2/h13-14H,3,5-11H2,1-2,4H3/t13-/m0/s1.
What are the key properties of (4R)-N,4-diethyl-7-methyloct-7-en-1-amine?
(4R)-N,4-diethyl-7-methyloct-7-en-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N,4-diethyl-7-methyloct-7-en-1-amine is sourced from PubChem (CID 144585120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).