1-(4-tert-butyl-1-heptoxycyclohexyl)-N-methylmethanamine

C19H39NO — CID 63474629

IUPAC1-(4-tert-butyl-1-heptoxycyclohexyl)-N-methylmethanamine
SMILESCCCCCCCOC1(CNC)CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H39NO/c1-6-7-8-9-10-15-21-19(16-20-5)13-11-17(12-14-19)18(2,3)4/h17,20H,6-16H2,1-5H3
InChIKeyKUUCBQILGDCOAU-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.17
Rot. Bonds9

About 1-(4-tert-butyl-1-heptoxycyclohexyl)-N-methylmethanamine

1-(4-tert-butyl-1-heptoxycyclohexyl)-N-methylmethanamine (PubChem CID 63474629) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is 1-(4-tert-butyl-1-heptoxycyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-tert-butyl-1-heptoxycyclohexyl)-N-methylmethanamine
PubChem CID63474629
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Name1-(4-tert-butyl-1-heptoxycyclohexyl)-N-methylmethanamine
SMILESCCCCCCCOC1(CNC)CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H39NO/c1-6-7-8-9-10-15-21-19(16-20-5)13-11-17(12-14-19)18(2,3)4/h17,20H,6-16H2,1-5H3
InChIKeyKUUCBQILGDCOAU-UHFFFAOYSA-N
XLogP5.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.17
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-tert-butyl-1-octoxycyclohexyl)methanamine
CID 63475910
1-(4-ethyl-1-heptoxycyclohexyl)-N-methylmethanamine
CID 55192680
1-(bromomethyl)-1-butoxy-4-tert-butylcyclohexane
CID 63468622
1-(1-butoxy-4-ethylcyclohexyl)-N-methylmethanamine
CID 62108726
N-[(4-tert-butyl-1-propoxycyclohexyl)methyl]-2-methylpropan-2-amine
CID 63473883
1-(4-tert-butyl-1-pentylcyclohexyl)-N-methylmethanamine
CID 63509791
1-(1-butan-2-yloxy-4-tert-butylcyclohexyl)-N-methylmethanamine
CID 62108397
[4-tert-butyl-1-(3-fluoropropoxy)cyclohexyl]methanamine
CID 81105509
N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]propan-1-amine
CID 63474602
2-methyl-N-[(1-octoxycyclohexyl)methyl]propan-2-amine
CID 63476269
1-hexoxy-1-(iodomethyl)-4-methylcyclohexane
CID 114773514
N-[(1-octoxycyclohexyl)methyl]cyclopropanamine
CID 63476268

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1-heptoxycyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(4-tert-butyl-1-heptoxycyclohexyl)-N-methylmethanamine (CID 63474629) is 1-(4-tert-butyl-1-heptoxycyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-tert-butyl-1-heptoxycyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-tert-butyl-1-heptoxycyclohexyl)-N-methylmethanamine is CCCCCCCOC1(CNC)CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butyl-1-heptoxycyclohexyl)-N-methylmethanamine?
The InChIKey is KUUCBQILGDCOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-6-7-8-9-10-15-21-19(16-20-5)13-11-17(12-14-19)18(2,3)4/h17,20H,6-16H2,1-5H3.
What are the key properties of 1-(4-tert-butyl-1-heptoxycyclohexyl)-N-methylmethanamine?
1-(4-tert-butyl-1-heptoxycyclohexyl)-N-methylmethanamine has a molecular weight of 297.53 g/mol, XLogP of 5.17, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1-heptoxycyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 63474629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).