N-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-3-amine

C17H35NO — CID 106800782

IUPACN-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-3-amine
SMILESCCC(CCCOC1CC(C)CCC1C(C)C)NC
InChIInChI=1S/C17H35NO/c1-6-15(18-5)8-7-11-19-17-12-14(4)9-10-16(17)13(2)3/h13-18H,6-12H2,1-5H3
InChIKeyNCRQEYJRNZTNLH-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.24
Rot. Bonds8

About N-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-3-amine

N-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-3-amine (PubChem CID 106800782) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-3-amine.

Molecular Properties

Compound NameN-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-3-amine
PubChem CID106800782
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-3-amine
SMILESCCC(CCCOC1CC(C)CCC1C(C)C)NC
InChIInChI=1S/C17H35NO/c1-6-15(18-5)8-7-11-19-17-12-14(4)9-10-16(17)13(2)3/h13-18H,6-12H2,1-5H3
InChIKeyNCRQEYJRNZTNLH-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.24
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

4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
CID 16734861
4-methyl-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]pentan-1-amine
CID 63505523
1-methoxy-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-amine
CID 107506656
5-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-amine
CID 54966296
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
N-(2-methoxyethyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine
CID 55088056
N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]pentan-2-amine
CID 55194368
2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 11651336
(1S,2R,4R)-2-(2-bromoethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 22883721
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol
CID 131866620
N-tert-butyl-4-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine
CID 62445917

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-3-amine?
The IUPAC name of N-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-3-amine (CID 106800782) is N-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-3-amine.
What is the SMILES notation for N-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-3-amine?
The canonical SMILES for N-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-3-amine is CCC(CCCOC1CC(C)CCC1C(C)C)NC.
What is the InChIKey of N-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-3-amine?
The InChIKey is NCRQEYJRNZTNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-6-15(18-5)8-7-11-19-17-12-14(4)9-10-16(17)13(2)3/h13-18H,6-12H2,1-5H3.
What are the key properties of N-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-3-amine?
N-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-3-amine has a molecular weight of 269.47 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-3-amine is sourced from PubChem (CID 106800782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).