1-cyclohexyl-1-ethoxy-N-propylhex-4-yn-2-amine

C17H31NO — CID 116772502

IUPAC1-cyclohexyl-1-ethoxy-N-propylhex-4-yn-2-amine
SMILESCC#CCC(NCCC)C(OCC)C1CCCCC1
InChIInChI=1S/C17H31NO/c1-4-7-13-16(18-14-5-2)17(19-6-3)15-11-9-8-10-12-15/h15-18H,5-6,8-14H2,1-3H3
InChIKeyABLJIZUBPCBHPN-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.75
Rot. Bonds8

About 1-cyclohexyl-1-ethoxy-N-propylhex-4-yn-2-amine

1-cyclohexyl-1-ethoxy-N-propylhex-4-yn-2-amine (PubChem CID 116772502) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-cyclohexyl-1-ethoxy-N-propylhex-4-yn-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-1-ethoxy-N-propylhex-4-yn-2-amine
PubChem CID116772502
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name1-cyclohexyl-1-ethoxy-N-propylhex-4-yn-2-amine
SMILESCC#CCC(NCCC)C(OCC)C1CCCCC1
InChIInChI=1S/C17H31NO/c1-4-7-13-16(18-14-5-2)17(19-6-3)15-11-9-8-10-12-15/h15-18H,5-6,8-14H2,1-3H3
InChIKeyABLJIZUBPCBHPN-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-1-ethoxy-N-propylheptan-2-amine
CID 116772446
1-cyclohexyl-1-methoxy-N-propylhept-5-yn-2-amine
CID 116771813
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-cyclopropyl-1-ethoxy-N-propylpent-4-en-2-amine
CID 116723819
1-cyclohexyl-1-ethoxy-N-methylpent-4-yn-2-amine
CID 116772246
1-cyclohexyl-1-ethoxy-4-methyl-N-propylpent-3-en-2-amine
CID 116772492
1-cyclopropyl-1-ethoxy-4-methyl-N-propylpent-4-en-2-amine
CID 116723864
(1-cyclohexyl-3-cyclopentyl-1-ethoxypropan-2-yl)hydrazine
CID 105278814
2-methyl-N-propylhept-5-yn-3-amine
CID 62312371
N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
CID 80609458
1-cyclohexyl-1-methoxy-6-methyl-N-propylheptan-2-amine
CID 116771907

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-ethoxy-N-propylhex-4-yn-2-amine?
The IUPAC name of 1-cyclohexyl-1-ethoxy-N-propylhex-4-yn-2-amine (CID 116772502) is 1-cyclohexyl-1-ethoxy-N-propylhex-4-yn-2-amine.
What is the SMILES notation for 1-cyclohexyl-1-ethoxy-N-propylhex-4-yn-2-amine?
The canonical SMILES for 1-cyclohexyl-1-ethoxy-N-propylhex-4-yn-2-amine is CC#CCC(NCCC)C(OCC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-ethoxy-N-propylhex-4-yn-2-amine?
The InChIKey is ABLJIZUBPCBHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-4-7-13-16(18-14-5-2)17(19-6-3)15-11-9-8-10-12-15/h15-18H,5-6,8-14H2,1-3H3.
What are the key properties of 1-cyclohexyl-1-ethoxy-N-propylhex-4-yn-2-amine?
1-cyclohexyl-1-ethoxy-N-propylhex-4-yn-2-amine has a molecular weight of 265.44 g/mol, XLogP of 3.75, 8 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-propylhex-4-yn-2-amine is sourced from PubChem (CID 116772502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).