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

C17H35N — CID 63509791

IUPAC1-(4-tert-butyl-1-pentylcyclohexyl)-N-methylmethanamine
SMILESCCCCCC1(CNC)CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H35N/c1-6-7-8-11-17(14-18-5)12-9-15(10-13-17)16(2,3)4/h15,18H,6-14H2,1-5H3
InChIKeyBEUIGCOFXGORBL-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.01
Rot. Bonds6

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

1-(4-tert-butyl-1-pentylcyclohexyl)-N-methylmethanamine (PubChem CID 63509791) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 1-(4-tert-butyl-1-pentylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-tert-butyl-1-pentylcyclohexyl)-N-methylmethanamine
PubChem CID63509791
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name1-(4-tert-butyl-1-pentylcyclohexyl)-N-methylmethanamine
SMILESCCCCCC1(CNC)CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H35N/c1-6-7-8-11-17(14-18-5)12-9-15(10-13-17)16(2,3)4/h15,18H,6-14H2,1-5H3
InChIKeyBEUIGCOFXGORBL-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-tert-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine
CID 63507892
(4-tert-butyl-1-octylcyclohexyl)methanol
CID 66026572
1-(bromomethyl)-4-tert-butyl-1-hexylcyclohexane
CID 66048481
1-[4-tert-butyl-1-(2-ethylhexyl)cyclohexyl]-N-methylmethanamine
CID 63507882
N-methyl-1-(1-pentylcyclohexyl)methanamine
CID 62725569
1-(4-tert-butyl-1-heptoxycyclohexyl)-N-methylmethanamine
CID 63474629
N-[(1-butyl-4-tert-butylcyclohexyl)methyl]-2-methoxyethanamine
CID 63509628
N-[(4-tert-butyl-1-propylcyclohexyl)methyl]cyclopropanamine
CID 55197381
1-[4-tert-butyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine
CID 114531439
N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]propan-1-amine
CID 63507372
1-[1-[(4-bromophenyl)methyl]-4-tert-butylcyclohexyl]-N-methylmethanamine
CID 63509614
1-[4-butyl-1-(2-ethoxyethyl)cyclohexyl]-N-methylmethanamine
CID 62724574

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1-pentylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(4-tert-butyl-1-pentylcyclohexyl)-N-methylmethanamine (CID 63509791) is 1-(4-tert-butyl-1-pentylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-tert-butyl-1-pentylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-tert-butyl-1-pentylcyclohexyl)-N-methylmethanamine is CCCCCC1(CNC)CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butyl-1-pentylcyclohexyl)-N-methylmethanamine?
The InChIKey is BEUIGCOFXGORBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-6-7-8-11-17(14-18-5)12-9-15(10-13-17)16(2,3)4/h15,18H,6-14H2,1-5H3.
What are the key properties of 1-(4-tert-butyl-1-pentylcyclohexyl)-N-methylmethanamine?
1-(4-tert-butyl-1-pentylcyclohexyl)-N-methylmethanamine has a molecular weight of 253.47 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1-pentylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 63509791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).