(3R)-N,N,3-trimethyloct-1-en-4-amine

C11H23N — CID 130311586

IUPAC(3R)-N,N,3-trimethyloct-1-en-4-amine
SMILESC=C[C@@H](C)C(CCCC)N(C)C
InChIInChI=1S/C11H23N/c1-6-8-9-11(12(4)5)10(3)7-2/h7,10-11H,2,6,8-9H2,1,3-5H3/t10-,11?/m1/s1
InChIKeyXEDVSBBVZMVDBN-NFJWQWPMSA-N
MW169.31 g/mol
LogP2.93
Rot. Bonds6

About (3R)-N,N,3-trimethyloct-1-en-4-amine

(3R)-N,N,3-trimethyloct-1-en-4-amine (PubChem CID 130311586) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (3R)-N,N,3-trimethyloct-1-en-4-amine.

Molecular Properties

Compound Name(3R)-N,N,3-trimethyloct-1-en-4-amine
PubChem CID130311586
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(3R)-N,N,3-trimethyloct-1-en-4-amine
SMILESC=C[C@@H](C)C(CCCC)N(C)C
InChIInChI=1S/C11H23N/c1-6-8-9-11(12(4)5)10(3)7-2/h7,10-11H,2,6,8-9H2,1,3-5H3/t10-,11?/m1/s1
InChIKeyXEDVSBBVZMVDBN-NFJWQWPMSA-N
XLogP2.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-N,N,3-trimethyloct-1-en-4-amine?
The IUPAC name of (3R)-N,N,3-trimethyloct-1-en-4-amine (CID 130311586) is (3R)-N,N,3-trimethyloct-1-en-4-amine.
What is the SMILES notation for (3R)-N,N,3-trimethyloct-1-en-4-amine?
The canonical SMILES for (3R)-N,N,3-trimethyloct-1-en-4-amine is C=C[C@@H](C)C(CCCC)N(C)C.
What is the InChIKey of (3R)-N,N,3-trimethyloct-1-en-4-amine?
The InChIKey is XEDVSBBVZMVDBN-NFJWQWPMSA-N. The full InChI is InChI=1S/C11H23N/c1-6-8-9-11(12(4)5)10(3)7-2/h7,10-11H,2,6,8-9H2,1,3-5H3/t10-,11?/m1/s1.
What are the key properties of (3R)-N,N,3-trimethyloct-1-en-4-amine?
(3R)-N,N,3-trimethyloct-1-en-4-amine has a molecular weight of 169.31 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N,3-trimethyloct-1-en-4-amine is sourced from PubChem (CID 130311586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).