N,N-diethyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine

C15H29N — CID 11117679

IUPACN,N-diethyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine
SMILESCCN(CC)CCC(C)[C@H]1CC=C(C)CC1
InChIInChI=1S/C15H29N/c1-5-16(6-2)12-11-14(4)15-9-7-13(3)8-10-15/h7,14-15H,5-6,8-12H2,1-4H3/t14?,15-/m0/s1
InChIKeyYYQYBEXFTZFKCE-LOACHALJSA-N
MW223.40 g/mol
LogP4.10
Rot. Bonds6

About N,N-diethyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine

N,N-diethyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine (PubChem CID 11117679) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N,N-diethyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine
PubChem CID11117679
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN,N-diethyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine
SMILESCCN(CC)CCC(C)[C@H]1CC=C(C)CC1
InChIInChI=1S/C15H29N/c1-5-16(6-2)12-11-14(4)15-9-7-13(3)8-10-15/h7,14-15H,5-6,8-12H2,1-4H3/t14?,15-/m0/s1
InChIKeyYYQYBEXFTZFKCE-LOACHALJSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.10
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 N,N-diethyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine?
The IUPAC name of N,N-diethyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine (CID 11117679) is N,N-diethyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine.
What is the SMILES notation for N,N-diethyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine?
The canonical SMILES for N,N-diethyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine is CCN(CC)CCC(C)[C@H]1CC=C(C)CC1.
What is the InChIKey of N,N-diethyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine?
The InChIKey is YYQYBEXFTZFKCE-LOACHALJSA-N. The full InChI is InChI=1S/C15H29N/c1-5-16(6-2)12-11-14(4)15-9-7-13(3)8-10-15/h7,14-15H,5-6,8-12H2,1-4H3/t14?,15-/m0/s1.
What are the key properties of N,N-diethyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine?
N,N-diethyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine has a molecular weight of 223.40 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine is sourced from PubChem (CID 11117679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).