1-(4-tert-butylcyclohexyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine

C17H29NO — CID 63501939

IUPAC1-(4-tert-butylcyclohexyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
SMILESCNC(c1ccc(C)o1)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H29NO/c1-12-6-11-15(19-12)16(18-5)13-7-9-14(10-8-13)17(2,3)4/h6,11,13-14,16,18H,7-10H2,1-5H3
InChIKeyGNDNRFAXLJKAEW-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.70
Rot. Bonds3

About 1-(4-tert-butylcyclohexyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine

1-(4-tert-butylcyclohexyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine (PubChem CID 63501939) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
PubChem CID63501939
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(4-tert-butylcyclohexyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
SMILESCNC(c1ccc(C)o1)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H29NO/c1-12-6-11-15(19-12)16(18-5)13-7-9-14(10-8-13)17(2,3)4/h6,11,13-14,16,18H,7-10H2,1-5H3
InChIKeyGNDNRFAXLJKAEW-UHFFFAOYSA-N
XLogP4.70
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,1-dioxothian-4-yl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 116821427
[(5-methylfuran-2-yl)-(oxan-4-yl)methyl]hydrazine
CID 105306266
N-[(4-tert-butylcyclohexyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 63504568
1-(4-tert-butylcyclohexyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 65400352
1-(4-tert-butylcyclohexyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
CID 55196430
1-(3-bromo-5-methylthiophen-2-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine
CID 65279451
1-(4-bromothiophen-3-yl)-1-(4-tert-butylcyclohexyl)-N-methylmethanamine
CID 79602849
[(4-tert-butylcyclohexyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105232678
[(4-tert-butylcyclohexyl)-(furan-3-yl)methyl]hydrazine
CID 105232780
1-(4-tert-butylcyclohexyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 104575722
1-(4-tert-butylcyclohexyl)-N,2,2-trimethylpropan-1-amine
CID 65400554
[(3-bromofuran-2-yl)-(4-tert-butylcyclohexyl)methyl]hydrazine
CID 105232797

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine (CID 63501939) is 1-(4-tert-butylcyclohexyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine is CNC(c1ccc(C)o1)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine?
The InChIKey is GNDNRFAXLJKAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-12-6-11-15(19-12)16(18-5)13-7-9-14(10-8-13)17(2,3)4/h6,11,13-14,16,18H,7-10H2,1-5H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine?
1-(4-tert-butylcyclohexyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine has a molecular weight of 263.43 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine is sourced from PubChem (CID 63501939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).