N,3-diethyl-7-methyl-3-phenyloctan-4-amine

C19H33N — CID 63417594

IUPACN,3-diethyl-7-methyl-3-phenyloctan-4-amine
SMILESCCNC(CCC(C)C)C(CC)(CC)c1ccccc1
InChIInChI=1S/C19H33N/c1-6-19(7-2,17-12-10-9-11-13-17)18(20-8-3)15-14-16(4)5/h9-13,16,18,20H,6-8,14-15H2,1-5H3
InChIKeyXCHCNIKOMBKCJX-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.16
Rot. Bonds9

About N,3-diethyl-7-methyl-3-phenyloctan-4-amine

N,3-diethyl-7-methyl-3-phenyloctan-4-amine (PubChem CID 63417594) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is N,3-diethyl-7-methyl-3-phenyloctan-4-amine.

Molecular Properties

Compound NameN,3-diethyl-7-methyl-3-phenyloctan-4-amine
PubChem CID63417594
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC NameN,3-diethyl-7-methyl-3-phenyloctan-4-amine
SMILESCCNC(CCC(C)C)C(CC)(CC)c1ccccc1
InChIInChI=1S/C19H33N/c1-6-19(7-2,17-12-10-9-11-13-17)18(20-8-3)15-14-16(4)5/h9-13,16,18,20H,6-8,14-15H2,1-5H3
InChIKeyXCHCNIKOMBKCJX-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,5-diethyl-1-methoxy-5-phenylheptan-4-amine
CID 115608699
3-ethyl-7-methyl-3-phenyloctan-4-ol
CID 63414576
N,3-diethyl-1-methoxy-3-phenylpentan-2-amine
CID 79575431
1-cyclopropyl-N,3-diethyl-3-phenylpentan-2-amine
CID 64903846
5-ethyl-2-methyl-5-phenyl-N-propylheptan-4-amine
CID 63417732
3-ethyl-3-phenyl-N-propyloct-7-yn-4-amine
CID 63644186
(2S)-3-ethyl-3-phenylpentan-2-amine
CID 64712581
4-N,3-diethyl-3-N,3-N,7-trimethyloctane-3,4-diamine
CID 79062661
N-ethyl-2,5-dimethyl-2,5-diphenylhexan-3-amine
CID 154638784
2-ethyl-3-methyl-2-phenyl-N-propan-2-ylhexan-1-amine
CID 107897390
5-ethyl-5-phenyl-N-propylhept-1-yn-4-amine
CID 55180393
1-cyclohexyl-N,2-diethyl-2-phenylbutan-1-amine
CID 63417640

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-7-methyl-3-phenyloctan-4-amine?
The IUPAC name of N,3-diethyl-7-methyl-3-phenyloctan-4-amine (CID 63417594) is N,3-diethyl-7-methyl-3-phenyloctan-4-amine.
What is the SMILES notation for N,3-diethyl-7-methyl-3-phenyloctan-4-amine?
The canonical SMILES for N,3-diethyl-7-methyl-3-phenyloctan-4-amine is CCNC(CCC(C)C)C(CC)(CC)c1ccccc1.
What is the InChIKey of N,3-diethyl-7-methyl-3-phenyloctan-4-amine?
The InChIKey is XCHCNIKOMBKCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-6-19(7-2,17-12-10-9-11-13-17)18(20-8-3)15-14-16(4)5/h9-13,16,18,20H,6-8,14-15H2,1-5H3.
What are the key properties of N,3-diethyl-7-methyl-3-phenyloctan-4-amine?
N,3-diethyl-7-methyl-3-phenyloctan-4-amine has a molecular weight of 275.48 g/mol, XLogP of 5.16, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-7-methyl-3-phenyloctan-4-amine is sourced from PubChem (CID 63417594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).