(3R)-3,7-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]oct-6-en-1-amine

C17H34N2 — CID 6480554

IUPAC(3R)-3,7-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]oct-6-en-1-amine
SMILESCC(C)=CCC[C@@H](C)CCNCCC1CCCN1C
InChIInChI=1S/C17H34N2/c1-15(2)7-5-8-16(3)10-12-18-13-11-17-9-6-14-19(17)4/h7,16-18H,5-6,8-14H2,1-4H3/t16-,17?/m1/s1
InChIKeyXKDSGJMRBCKWSX-TZHYSIJRSA-N
MW266.47 g/mol
LogP3.83
Rot. Bonds9

About (3R)-3,7-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]oct-6-en-1-amine

(3R)-3,7-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]oct-6-en-1-amine (PubChem CID 6480554) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is (3R)-3,7-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]oct-6-en-1-amine.

Molecular Properties

Compound Name(3R)-3,7-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]oct-6-en-1-amine
PubChem CID6480554
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name(3R)-3,7-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]oct-6-en-1-amine
SMILESCC(C)=CCC[C@@H](C)CCNCCC1CCCN1C
InChIInChI=1S/C17H34N2/c1-15(2)7-5-8-16(3)10-12-18-13-11-17-9-6-14-19(17)4/h7,16-18H,5-6,8-14H2,1-4H3/t16-,17?/m1/s1
InChIKeyXKDSGJMRBCKWSX-TZHYSIJRSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3R)-3,7-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]oct-6-en-1-amine?
The IUPAC name of (3R)-3,7-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]oct-6-en-1-amine (CID 6480554) is (3R)-3,7-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]oct-6-en-1-amine.
What is the SMILES notation for (3R)-3,7-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]oct-6-en-1-amine?
The canonical SMILES for (3R)-3,7-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]oct-6-en-1-amine is CC(C)=CCC[C@@H](C)CCNCCC1CCCN1C.
What is the InChIKey of (3R)-3,7-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]oct-6-en-1-amine?
The InChIKey is XKDSGJMRBCKWSX-TZHYSIJRSA-N. The full InChI is InChI=1S/C17H34N2/c1-15(2)7-5-8-16(3)10-12-18-13-11-17-9-6-14-19(17)4/h7,16-18H,5-6,8-14H2,1-4H3/t16-,17?/m1/s1.
What are the key properties of (3R)-3,7-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]oct-6-en-1-amine?
(3R)-3,7-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]oct-6-en-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,7-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]oct-6-en-1-amine is sourced from PubChem (CID 6480554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).