N-[(4-ethoxycyclohexyl)methyl]heptan-4-amine

C16H33NO — CID 143043750

IUPACN-[(4-ethoxycyclohexyl)methyl]heptan-4-amine
SMILESCCCC(CCC)NCC1CCC(OCC)CC1
InChIInChI=1S/C16H33NO/c1-4-7-15(8-5-2)17-13-14-9-11-16(12-10-14)18-6-3/h14-17H,4-13H2,1-3H3
InChIKeyJSMOTHVUMVCBCJ-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.14
Rot. Bonds9

About N-[(4-ethoxycyclohexyl)methyl]heptan-4-amine

N-[(4-ethoxycyclohexyl)methyl]heptan-4-amine (PubChem CID 143043750) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-[(4-ethoxycyclohexyl)methyl]heptan-4-amine.

Molecular Properties

Compound NameN-[(4-ethoxycyclohexyl)methyl]heptan-4-amine
PubChem CID143043750
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-[(4-ethoxycyclohexyl)methyl]heptan-4-amine
SMILESCCCC(CCC)NCC1CCC(OCC)CC1
InChIInChI=1S/C16H33NO/c1-4-7-15(8-5-2)17-13-14-9-11-16(12-10-14)18-6-3/h14-17H,4-13H2,1-3H3
InChIKeyJSMOTHVUMVCBCJ-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxycyclohexyl)methyl]heptan-4-amine?
The IUPAC name of N-[(4-ethoxycyclohexyl)methyl]heptan-4-amine (CID 143043750) is N-[(4-ethoxycyclohexyl)methyl]heptan-4-amine.
What is the SMILES notation for N-[(4-ethoxycyclohexyl)methyl]heptan-4-amine?
The canonical SMILES for N-[(4-ethoxycyclohexyl)methyl]heptan-4-amine is CCCC(CCC)NCC1CCC(OCC)CC1.
What is the InChIKey of N-[(4-ethoxycyclohexyl)methyl]heptan-4-amine?
The InChIKey is JSMOTHVUMVCBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-4-7-15(8-5-2)17-13-14-9-11-16(12-10-14)18-6-3/h14-17H,4-13H2,1-3H3.
What are the key properties of N-[(4-ethoxycyclohexyl)methyl]heptan-4-amine?
N-[(4-ethoxycyclohexyl)methyl]heptan-4-amine has a molecular weight of 255.45 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxycyclohexyl)methyl]heptan-4-amine is sourced from PubChem (CID 143043750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).