N-[[1-(3-methylbutoxy)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine

C18H37NO — CID 63475515

IUPACN-[[1-(3-methylbutoxy)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(OCCC(C)C)CCC(C(C)C)CC1
InChIInChI=1S/C18H37NO/c1-6-12-19-14-18(20-13-9-15(2)3)10-7-17(8-11-18)16(4)5/h15-17,19H,6-14H2,1-5H3
InChIKeyAWUVXPXWVVJNJV-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.63
Rot. Bonds9

About N-[[1-(3-methylbutoxy)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine

N-[[1-(3-methylbutoxy)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine (PubChem CID 63475515) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is N-[[1-(3-methylbutoxy)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(3-methylbutoxy)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
PubChem CID63475515
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC NameN-[[1-(3-methylbutoxy)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(OCCC(C)C)CCC(C(C)C)CC1
InChIInChI=1S/C18H37NO/c1-6-12-19-14-18(20-13-9-15(2)3)10-7-17(8-11-18)16(4)5/h15-17,19H,6-14H2,1-5H3
InChIKeyAWUVXPXWVVJNJV-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.63
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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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylbutoxy)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(3-methylbutoxy)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine (CID 63475515) is N-[[1-(3-methylbutoxy)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(3-methylbutoxy)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(3-methylbutoxy)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine is CCCNCC1(OCCC(C)C)CCC(C(C)C)CC1.
What is the InChIKey of N-[[1-(3-methylbutoxy)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine?
The InChIKey is AWUVXPXWVVJNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-6-12-19-14-18(20-13-9-15(2)3)10-7-17(8-11-18)16(4)5/h15-17,19H,6-14H2,1-5H3.
What are the key properties of N-[[1-(3-methylbutoxy)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine?
N-[[1-(3-methylbutoxy)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylbutoxy)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 63475515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).