1-[(dipropylamino)methyl]-4-methylcyclohexan-1-ol

C14H29NO — CID 115647632

IUPAC1-[(dipropylamino)methyl]-4-methylcyclohexan-1-ol
SMILESCCCN(CCC)CC1(O)CCC(C)CC1
InChIInChI=1S/C14H29NO/c1-4-10-15(11-5-2)12-14(16)8-6-13(3)7-9-14/h13,16H,4-12H2,1-3H3
InChIKeyUFEXDPTVCVHDKH-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.05
Rot. Bonds6

About 1-[(dipropylamino)methyl]-4-methylcyclohexan-1-ol

1-[(dipropylamino)methyl]-4-methylcyclohexan-1-ol (PubChem CID 115647632) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-[(dipropylamino)methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(dipropylamino)methyl]-4-methylcyclohexan-1-ol
PubChem CID115647632
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-[(dipropylamino)methyl]-4-methylcyclohexan-1-ol
SMILESCCCN(CCC)CC1(O)CCC(C)CC1
InChIInChI=1S/C14H29NO/c1-4-10-15(11-5-2)12-14(16)8-6-13(3)7-9-14/h13,16H,4-12H2,1-3H3
InChIKeyUFEXDPTVCVHDKH-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(dipropylamino)methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[(dipropylamino)methyl]-4-methylcyclohexan-1-ol (CID 115647632) is 1-[(dipropylamino)methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(dipropylamino)methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(dipropylamino)methyl]-4-methylcyclohexan-1-ol is CCCN(CCC)CC1(O)CCC(C)CC1.
What is the InChIKey of 1-[(dipropylamino)methyl]-4-methylcyclohexan-1-ol?
The InChIKey is UFEXDPTVCVHDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-10-15(11-5-2)12-14(16)8-6-13(3)7-9-14/h13,16H,4-12H2,1-3H3.
What are the key properties of 1-[(dipropylamino)methyl]-4-methylcyclohexan-1-ol?
1-[(dipropylamino)methyl]-4-methylcyclohexan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(dipropylamino)methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 115647632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).