2-[(N,2-dimethylanilino)methyl]-4-propylcyclohexan-1-ol

C18H29NO — CID 63487718

IUPAC2-[(N,2-dimethylanilino)methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(C)c2ccccc2C)C1
InChIInChI=1S/C18H29NO/c1-4-7-15-10-11-18(20)16(12-15)13-19(3)17-9-6-5-8-14(17)2/h5-6,8-9,15-16,18,20H,4,7,10-13H2,1-3H3
InChIKeyKDQKHLQUJBMETF-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.01
Rot. Bonds5

About 2-[(N,2-dimethylanilino)methyl]-4-propylcyclohexan-1-ol

2-[(N,2-dimethylanilino)methyl]-4-propylcyclohexan-1-ol (PubChem CID 63487718) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-[(N,2-dimethylanilino)methyl]-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(N,2-dimethylanilino)methyl]-4-propylcyclohexan-1-ol
PubChem CID63487718
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-[(N,2-dimethylanilino)methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(C)c2ccccc2C)C1
InChIInChI=1S/C18H29NO/c1-4-7-15-10-11-18(20)16(12-15)13-19(3)17-9-6-5-8-14(17)2/h5-6,8-9,15-16,18,20H,4,7,10-13H2,1-3H3
InChIKeyKDQKHLQUJBMETF-UHFFFAOYSA-N
XLogP4.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(N,2-dimethylanilino)methyl]-4-propylcyclohexan-1-ol?
The IUPAC name of 2-[(N,2-dimethylanilino)methyl]-4-propylcyclohexan-1-ol (CID 63487718) is 2-[(N,2-dimethylanilino)methyl]-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-[(N,2-dimethylanilino)methyl]-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-[(N,2-dimethylanilino)methyl]-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(CN(C)c2ccccc2C)C1.
What is the InChIKey of 2-[(N,2-dimethylanilino)methyl]-4-propylcyclohexan-1-ol?
The InChIKey is KDQKHLQUJBMETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-7-15-10-11-18(20)16(12-15)13-19(3)17-9-6-5-8-14(17)2/h5-6,8-9,15-16,18,20H,4,7,10-13H2,1-3H3.
What are the key properties of 2-[(N,2-dimethylanilino)methyl]-4-propylcyclohexan-1-ol?
2-[(N,2-dimethylanilino)methyl]-4-propylcyclohexan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N,2-dimethylanilino)methyl]-4-propylcyclohexan-1-ol is sourced from PubChem (CID 63487718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).