1-[[1-(4-tert-butylphenyl)ethylamino]methyl]cyclopentan-1-ol

C18H29NO — CID 65105631

IUPAC1-[[1-(4-tert-butylphenyl)ethylamino]methyl]cyclopentan-1-ol
SMILESCC(NCC1(O)CCCC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H29NO/c1-14(19-13-18(20)11-5-6-12-18)15-7-9-16(10-8-15)17(2,3)4/h7-10,14,19-20H,5-6,11-13H2,1-4H3
InChIKeyXCTLQNHLDGKMAP-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.94
Rot. Bonds4

About 1-[[1-(4-tert-butylphenyl)ethylamino]methyl]cyclopentan-1-ol

1-[[1-(4-tert-butylphenyl)ethylamino]methyl]cyclopentan-1-ol (PubChem CID 65105631) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[[1-(4-tert-butylphenyl)ethylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[1-(4-tert-butylphenyl)ethylamino]methyl]cyclopentan-1-ol
PubChem CID65105631
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-[[1-(4-tert-butylphenyl)ethylamino]methyl]cyclopentan-1-ol
SMILESCC(NCC1(O)CCCC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H29NO/c1-14(19-13-18(20)11-5-6-12-18)15-7-9-16(10-8-15)17(2,3)4/h7-10,14,19-20H,5-6,11-13H2,1-4H3
InChIKeyXCTLQNHLDGKMAP-UHFFFAOYSA-N
XLogP3.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-tert-butylphenyl)ethylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[1-(4-tert-butylphenyl)ethylamino]methyl]cyclopentan-1-ol (CID 65105631) is 1-[[1-(4-tert-butylphenyl)ethylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[1-(4-tert-butylphenyl)ethylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[1-(4-tert-butylphenyl)ethylamino]methyl]cyclopentan-1-ol is CC(NCC1(O)CCCC1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[[1-(4-tert-butylphenyl)ethylamino]methyl]cyclopentan-1-ol?
The InChIKey is XCTLQNHLDGKMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14(19-13-18(20)11-5-6-12-18)15-7-9-16(10-8-15)17(2,3)4/h7-10,14,19-20H,5-6,11-13H2,1-4H3.
What are the key properties of 1-[[1-(4-tert-butylphenyl)ethylamino]methyl]cyclopentan-1-ol?
1-[[1-(4-tert-butylphenyl)ethylamino]methyl]cyclopentan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-tert-butylphenyl)ethylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65105631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).