N-ethyl-3-methyl-1-(1-phenylcyclopropyl)hexan-1-amine

C18H29N — CID 63417923

IUPACN-ethyl-3-methyl-1-(1-phenylcyclopropyl)hexan-1-amine
SMILESCCCC(C)CC(NCC)C1(c2ccccc2)CC1
InChIInChI=1S/C18H29N/c1-4-9-15(3)14-17(19-5-2)18(12-13-18)16-10-7-6-8-11-16/h6-8,10-11,15,17,19H,4-5,9,12-14H2,1-3H3
InChIKeyVOFSCKGDLKTUFU-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.52
Rot. Bonds8

About N-ethyl-3-methyl-1-(1-phenylcyclopropyl)hexan-1-amine

N-ethyl-3-methyl-1-(1-phenylcyclopropyl)hexan-1-amine (PubChem CID 63417923) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(1-phenylcyclopropyl)hexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(1-phenylcyclopropyl)hexan-1-amine
PubChem CID63417923
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-ethyl-3-methyl-1-(1-phenylcyclopropyl)hexan-1-amine
SMILESCCCC(C)CC(NCC)C1(c2ccccc2)CC1
InChIInChI=1S/C18H29N/c1-4-9-15(3)14-17(19-5-2)18(12-13-18)16-10-7-6-8-11-16/h6-8,10-11,15,17,19H,4-5,9,12-14H2,1-3H3
InChIKeyVOFSCKGDLKTUFU-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(1-phenylcyclopropyl)hexan-1-amine?
The IUPAC name of N-ethyl-3-methyl-1-(1-phenylcyclopropyl)hexan-1-amine (CID 63417923) is N-ethyl-3-methyl-1-(1-phenylcyclopropyl)hexan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-(1-phenylcyclopropyl)hexan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-1-(1-phenylcyclopropyl)hexan-1-amine is CCCC(C)CC(NCC)C1(c2ccccc2)CC1.
What is the InChIKey of N-ethyl-3-methyl-1-(1-phenylcyclopropyl)hexan-1-amine?
The InChIKey is VOFSCKGDLKTUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-4-9-15(3)14-17(19-5-2)18(12-13-18)16-10-7-6-8-11-16/h6-8,10-11,15,17,19H,4-5,9,12-14H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-1-(1-phenylcyclopropyl)hexan-1-amine?
N-ethyl-3-methyl-1-(1-phenylcyclopropyl)hexan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(1-phenylcyclopropyl)hexan-1-amine is sourced from PubChem (CID 63417923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).