N-[(1-ethoxy-4-methylcyclohexyl)-(furan-3-yl)methyl]propan-1-amine

C17H29NO2 — CID 116767400

IUPACN-[(1-ethoxy-4-methylcyclohexyl)-(furan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1)C1(OCC)CCC(C)CC1
InChIInChI=1S/C17H29NO2/c1-4-11-18-16(15-8-12-19-13-15)17(20-5-2)9-6-14(3)7-10-17/h8,12-14,16,18H,4-7,9-11H2,1-3H3
InChIKeyRSBZDVMUFVJDST-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.31
Rot. Bonds7

About N-[(1-ethoxy-4-methylcyclohexyl)-(furan-3-yl)methyl]propan-1-amine

N-[(1-ethoxy-4-methylcyclohexyl)-(furan-3-yl)methyl]propan-1-amine (PubChem CID 116767400) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[(1-ethoxy-4-methylcyclohexyl)-(furan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-ethoxy-4-methylcyclohexyl)-(furan-3-yl)methyl]propan-1-amine
PubChem CID116767400
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[(1-ethoxy-4-methylcyclohexyl)-(furan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1)C1(OCC)CCC(C)CC1
InChIInChI=1S/C17H29NO2/c1-4-11-18-16(15-8-12-19-13-15)17(20-5-2)9-6-14(3)7-10-17/h8,12-14,16,18H,4-7,9-11H2,1-3H3
InChIKeyRSBZDVMUFVJDST-UHFFFAOYSA-N
XLogP4.31
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethoxycyclohexyl)-(furan-3-yl)methyl]propan-1-amine
CID 116764210
N-[(1-ethoxy-4-methylcyclohexyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 116767394
N-[(1-ethoxy-4-methylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 116767387
N-[(4-ethoxyoxan-4-yl)-phenylmethyl]propan-1-amine
CID 116765963
N-[(1-ethoxycyclohexyl)-phenylmethyl]propan-1-amine
CID 116764179
N-[(1-ethoxy-4-methylcyclohexyl)-pyrimidin-5-ylmethyl]ethanamine
CID 116767269
N-[2-cyclopropyl-1-(1-ethoxy-4-methylcyclohexyl)ethyl]propan-1-amine
CID 116767388
[(1-ethoxy-4-methylcyclohexyl)-(4-methylphenyl)methyl]hydrazine
CID 105277256
N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 116762445
[(3-bromofuran-2-yl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine
CID 105277396
1-(4-chlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 116767179
N-[furan-3-yl-(2-methyloxan-2-yl)methyl]propan-1-amine
CID 80684788

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethoxy-4-methylcyclohexyl)-(furan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-ethoxy-4-methylcyclohexyl)-(furan-3-yl)methyl]propan-1-amine (CID 116767400) is N-[(1-ethoxy-4-methylcyclohexyl)-(furan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-ethoxy-4-methylcyclohexyl)-(furan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-ethoxy-4-methylcyclohexyl)-(furan-3-yl)methyl]propan-1-amine is CCCNC(c1ccoc1)C1(OCC)CCC(C)CC1.
What is the InChIKey of N-[(1-ethoxy-4-methylcyclohexyl)-(furan-3-yl)methyl]propan-1-amine?
The InChIKey is RSBZDVMUFVJDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-11-18-16(15-8-12-19-13-15)17(20-5-2)9-6-14(3)7-10-17/h8,12-14,16,18H,4-7,9-11H2,1-3H3.
What are the key properties of N-[(1-ethoxy-4-methylcyclohexyl)-(furan-3-yl)methyl]propan-1-amine?
N-[(1-ethoxy-4-methylcyclohexyl)-(furan-3-yl)methyl]propan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethoxy-4-methylcyclohexyl)-(furan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 116767400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).