4-[(6R)-6-methyloct-1-en-3-yl]cyclohexa-2,4-dien-1-amine

C15H25N — CID 89074015

IUPAC4-[(6R)-6-methyloct-1-en-3-yl]cyclohexa-2,4-dien-1-amine
SMILESC=CC(CC[C@H](C)CC)C1=CCC(N)C=C1
InChIInChI=1S/C15H25N/c1-4-12(3)6-7-13(5-2)14-8-10-15(16)11-9-14/h5,8-10,12-13,15H,2,4,6-7,11,16H2,1,3H3/t12-,13?,15?/m1/s1
InChIKeyXGDNUQZXTXIMKM-DNOWBOINSA-N
MW219.37 g/mol
LogP3.83
Rot. Bonds6

About 4-[(6R)-6-methyloct-1-en-3-yl]cyclohexa-2,4-dien-1-amine

4-[(6R)-6-methyloct-1-en-3-yl]cyclohexa-2,4-dien-1-amine (PubChem CID 89074015) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 4-[(6R)-6-methyloct-1-en-3-yl]cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-[(6R)-6-methyloct-1-en-3-yl]cyclohexa-2,4-dien-1-amine
PubChem CID89074015
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name4-[(6R)-6-methyloct-1-en-3-yl]cyclohexa-2,4-dien-1-amine
SMILESC=CC(CC[C@H](C)CC)C1=CCC(N)C=C1
InChIInChI=1S/C15H25N/c1-4-12(3)6-7-13(5-2)14-8-10-15(16)11-9-14/h5,8-10,12-13,15H,2,4,6-7,11,16H2,1,3H3/t12-,13?,15?/m1/s1
InChIKeyXGDNUQZXTXIMKM-DNOWBOINSA-N
XLogP3.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
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 4-[(6R)-6-methyloct-1-en-3-yl]cyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-[(6R)-6-methyloct-1-en-3-yl]cyclohexa-2,4-dien-1-amine (CID 89074015) is 4-[(6R)-6-methyloct-1-en-3-yl]cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-[(6R)-6-methyloct-1-en-3-yl]cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-[(6R)-6-methyloct-1-en-3-yl]cyclohexa-2,4-dien-1-amine is C=CC(CC[C@H](C)CC)C1=CCC(N)C=C1.
What is the InChIKey of 4-[(6R)-6-methyloct-1-en-3-yl]cyclohexa-2,4-dien-1-amine?
The InChIKey is XGDNUQZXTXIMKM-DNOWBOINSA-N. The full InChI is InChI=1S/C15H25N/c1-4-12(3)6-7-13(5-2)14-8-10-15(16)11-9-14/h5,8-10,12-13,15H,2,4,6-7,11,16H2,1,3H3/t12-,13?,15?/m1/s1.
What are the key properties of 4-[(6R)-6-methyloct-1-en-3-yl]cyclohexa-2,4-dien-1-amine?
4-[(6R)-6-methyloct-1-en-3-yl]cyclohexa-2,4-dien-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6R)-6-methyloct-1-en-3-yl]cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 89074015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).