1-cyclohexyl-1-ethoxy-N-propylheptan-2-amine

C18H37NO — CID 116772446

IUPAC1-cyclohexyl-1-ethoxy-N-propylheptan-2-amine
SMILESCCCCCC(NCCC)C(OCC)C1CCCCC1
InChIInChI=1S/C18H37NO/c1-4-7-9-14-17(19-15-5-2)18(20-6-3)16-12-10-8-11-13-16/h16-19H,4-15H2,1-3H3
InChIKeySSGJEVXEZKVHDL-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.92
Rot. Bonds11

About 1-cyclohexyl-1-ethoxy-N-propylheptan-2-amine

1-cyclohexyl-1-ethoxy-N-propylheptan-2-amine (PubChem CID 116772446) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 1-cyclohexyl-1-ethoxy-N-propylheptan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-1-ethoxy-N-propylheptan-2-amine
PubChem CID116772446
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name1-cyclohexyl-1-ethoxy-N-propylheptan-2-amine
SMILESCCCCCC(NCCC)C(OCC)C1CCCCC1
InChIInChI=1S/C18H37NO/c1-4-7-9-14-17(19-15-5-2)18(20-6-3)16-12-10-8-11-13-16/h16-19H,4-15H2,1-3H3
InChIKeySSGJEVXEZKVHDL-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1-cyclohexyl-1-ethoxynonan-2-yl)hydrazine
CID 105278827
1-cyclopropyl-1-ethoxy-N-ethyldodecan-2-amine
CID 116723712
1-cyclohexyl-1-ethoxy-N-propylhex-4-yn-2-amine
CID 116772502
1-cyclohexyl-1-methoxy-6-methyl-N-propylheptan-2-amine
CID 116771907
1-cyclohexyl-1-ethoxy-3-phenyl-N-propylpropan-2-amine
CID 116772454
1-cyclohexyl-1-ethoxy-3-methyl-N-propylhexan-2-amine
CID 107896952
1-cyclohexyl-1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine
CID 116771861
1-cyclohexyl-1-ethoxy-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 116772369
1-cyclopropyl-1-ethoxy-N-propylpent-4-en-2-amine
CID 116723819
1-cyclohexyl-1-ethoxy-4-methyl-N-propylpent-3-en-2-amine
CID 116772492
2-ethoxy-N-propylnonan-3-amine
CID 64532611
(1-cyclohexyl-1-methoxynonan-2-yl)hydrazine
CID 105278607

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-ethoxy-N-propylheptan-2-amine?
The IUPAC name of 1-cyclohexyl-1-ethoxy-N-propylheptan-2-amine (CID 116772446) is 1-cyclohexyl-1-ethoxy-N-propylheptan-2-amine.
What is the SMILES notation for 1-cyclohexyl-1-ethoxy-N-propylheptan-2-amine?
The canonical SMILES for 1-cyclohexyl-1-ethoxy-N-propylheptan-2-amine is CCCCCC(NCCC)C(OCC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-ethoxy-N-propylheptan-2-amine?
The InChIKey is SSGJEVXEZKVHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-4-7-9-14-17(19-15-5-2)18(20-6-3)16-12-10-8-11-13-16/h16-19H,4-15H2,1-3H3.
What are the key properties of 1-cyclohexyl-1-ethoxy-N-propylheptan-2-amine?
1-cyclohexyl-1-ethoxy-N-propylheptan-2-amine has a molecular weight of 283.50 g/mol, XLogP of 4.92, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-ethoxy-N-propylheptan-2-amine is sourced from PubChem (CID 116772446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).