N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]propan-1-amine

C18H37NO — CID 63507372

IUPACN-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(CCCOC)CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H37NO/c1-6-13-19-15-18(10-7-14-20-5)11-8-16(9-12-18)17(2,3)4/h16,19H,6-15H2,1-5H3
InChIKeyBZWHMPWBGOETSW-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.64
Rot. Bonds8

About N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]propan-1-amine

N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 63507372) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]propan-1-amine
PubChem CID63507372
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC NameN-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(CCCOC)CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H37NO/c1-6-13-19-15-18(10-7-14-20-5)11-8-16(9-12-18)17(2,3)4/h16,19H,6-15H2,1-5H3
InChIKeyBZWHMPWBGOETSW-UHFFFAOYSA-N
XLogP4.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.64
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

N-[(1-butyl-4-tert-butylcyclohexyl)methyl]-2-methoxyethanamine
CID 63509628
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-1-amine
CID 66025997
N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]cyclopropanamine
CID 62725035
N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 103984545
N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]propan-1-amine
CID 63509617
N-[[4-butyl-1-(2-methoxyethyl)cyclohexyl]methyl]propan-1-amine
CID 63522013
N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]ethanamine
CID 113361862
[4-tert-butyl-1-[3-(2-methoxyethoxy)propyl]cyclohexyl]methanol
CID 103415215
N-[[3-(3-methoxypropyl)-1,1-dioxothiolan-3-yl]methyl]propan-1-amine
CID 55106738
1-(4-tert-butyl-1-pentylcyclohexyl)-N-methylmethanamine
CID 63509791
N-[[4-tert-butyl-1-(2-ethoxyethyl)cyclohexyl]methyl]ethanamine
CID 62724223
N-[(1-butylcyclobutyl)methyl]-2-methoxyethanamine
CID 65196075

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]propan-1-amine (CID 63507372) is N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]propan-1-amine is CCCNCC1(CCCOC)CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is BZWHMPWBGOETSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-6-13-19-15-18(10-7-14-20-5)11-8-16(9-12-18)17(2,3)4/h16,19H,6-15H2,1-5H3.
What are the key properties of N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]propan-1-amine?
N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 63507372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).