N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine

C17H35NO — CID 81030913

IUPACN-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(C(C)(C)C)CC1COCC
InChIInChI=1S/C17H35NO/c1-6-10-18-12-14-8-9-16(17(3,4)5)11-15(14)13-19-7-2/h14-16,18H,6-13H2,1-5H3
InChIKeyVLBHMVRAMDCHLK-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.10
Rot. Bonds7

About N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine

N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 81030913) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine
PubChem CID81030913
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(C(C)(C)C)CC1COCC
InChIInChI=1S/C17H35NO/c1-6-10-18-12-14-8-9-16(17(3,4)5)11-15(14)13-19-7-2/h14-16,18H,6-13H2,1-5H3
InChIKeyVLBHMVRAMDCHLK-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.10
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-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81030544
N-[[2-(ethoxymethyl)cycloheptyl]methyl]propan-1-amine
CID 81025395
N-[[4-tert-butyl-2-(2-methylpentyl)cyclohexyl]methyl]propan-1-amine
CID 81022950
N-[(4-tert-butyl-2-pent-3-ynylcyclohexyl)methyl]propan-1-amine
CID 104813979
N-[(4-tert-butylcyclohexyl)methyl]propan-1-amine
CID 63506241
N-[[4-ethyl-2-(propoxymethyl)cyclohexyl]methyl]propan-1-amine
CID 81029863
N-[[4-tert-butyl-2-(3-methyltriazol-4-yl)cyclohexyl]methyl]propan-1-amine
CID 114691617
N-[(3-tert-butylcyclobutyl)methyl]propan-1-amine
CID 65014740
N-[[2-(3-ethoxypropyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81029753
N-[[(1R,2S)-2-methylcyclopropyl]methyl]propan-1-amine
CID 93261342
N-[(4-tert-butyl-2-pent-3-ynylcyclohexyl)methyl]ethanamine
CID 104813978
N-[[4-tert-butyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81022443

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine (CID 81030913) is N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine is CCCNCC1CCC(C(C)(C)C)CC1COCC.
What is the InChIKey of N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is VLBHMVRAMDCHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-6-10-18-12-14-8-9-16(17(3,4)5)11-15(14)13-19-7-2/h14-16,18H,6-13H2,1-5H3.
What are the key properties of N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine?
N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 81030913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).