5-ethyl-2-methyl-5-phenyl-N-propylheptan-4-amine

C19H33N — CID 63417732

IUPAC5-ethyl-2-methyl-5-phenyl-N-propylheptan-4-amine
SMILESCCCNC(CC(C)C)C(CC)(CC)c1ccccc1
InChIInChI=1S/C19H33N/c1-6-14-20-18(15-16(4)5)19(7-2,8-3)17-12-10-9-11-13-17/h9-13,16,18,20H,6-8,14-15H2,1-5H3
InChIKeyXBWNXSAIGKWZEQ-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.16
Rot. Bonds9

About 5-ethyl-2-methyl-5-phenyl-N-propylheptan-4-amine

5-ethyl-2-methyl-5-phenyl-N-propylheptan-4-amine (PubChem CID 63417732) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 5-ethyl-2-methyl-5-phenyl-N-propylheptan-4-amine.

Molecular Properties

Compound Name5-ethyl-2-methyl-5-phenyl-N-propylheptan-4-amine
PubChem CID63417732
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name5-ethyl-2-methyl-5-phenyl-N-propylheptan-4-amine
SMILESCCCNC(CC(C)C)C(CC)(CC)c1ccccc1
InChIInChI=1S/C19H33N/c1-6-14-20-18(15-16(4)5)19(7-2,8-3)17-12-10-9-11-13-17/h9-13,16,18,20H,6-8,14-15H2,1-5H3
InChIKeyXBWNXSAIGKWZEQ-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

5-ethyl-5-phenyl-N-propylhept-1-yn-4-amine
CID 55180393
3-ethyl-3-phenyl-N-propyloct-7-yn-4-amine
CID 63644186
N,3-diethyl-7-methyl-3-phenyloctan-4-amine
CID 63417594
2,7-dimethyl-2-phenyl-N-propyloctan-3-amine
CID 83162206
N,3-diethyl-1-methoxy-3-phenylpentan-2-amine
CID 79575431
(2S)-3-ethyl-3-phenylpentan-2-amine
CID 64712581
2-ethyl-3-methyl-2-phenyl-N-propan-2-ylhexan-1-amine
CID 107897390
1-(2,3-dihydrofuran-5-yl)-2-ethyl-2-phenyl-N-propylbutan-1-amine
CID 102651516
1-cyclopropyl-N,3-diethyl-3-phenylpentan-2-amine
CID 64903846
5-ethyl-5-methoxy-2-methyl-N-propylheptan-4-amine
CID 116761321
2,4-dimethyl-2-phenyl-N-propylhexan-3-amine
CID 79446921
3-ethyl-7-methyl-3-phenyloctan-4-ol
CID 63414576

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-5-phenyl-N-propylheptan-4-amine?
The IUPAC name of 5-ethyl-2-methyl-5-phenyl-N-propylheptan-4-amine (CID 63417732) is 5-ethyl-2-methyl-5-phenyl-N-propylheptan-4-amine.
What is the SMILES notation for 5-ethyl-2-methyl-5-phenyl-N-propylheptan-4-amine?
The canonical SMILES for 5-ethyl-2-methyl-5-phenyl-N-propylheptan-4-amine is CCCNC(CC(C)C)C(CC)(CC)c1ccccc1.
What is the InChIKey of 5-ethyl-2-methyl-5-phenyl-N-propylheptan-4-amine?
The InChIKey is XBWNXSAIGKWZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-6-14-20-18(15-16(4)5)19(7-2,8-3)17-12-10-9-11-13-17/h9-13,16,18,20H,6-8,14-15H2,1-5H3.
What are the key properties of 5-ethyl-2-methyl-5-phenyl-N-propylheptan-4-amine?
5-ethyl-2-methyl-5-phenyl-N-propylheptan-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 5-ethyl-2-methyl-5-phenyl-N-propylheptan-4-amine is sourced from PubChem (CID 63417732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).