N-[2-(2-aminoethoxy)ethyl]-3-ethyl-N-propan-2-ylcyclohexan-1-amine

C15H32N2O — CID 114276419

IUPACN-[2-(2-aminoethoxy)ethyl]-3-ethyl-N-propan-2-ylcyclohexan-1-amine
SMILESCCC1CCCC(N(CCOCCN)C(C)C)C1
InChIInChI=1S/C15H32N2O/c1-4-14-6-5-7-15(12-14)17(13(2)3)9-11-18-10-8-16/h13-15H,4-12,16H2,1-3H3
InChIKeyMKIGRIYZTLOBRW-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.64
Rot. Bonds8

About N-[2-(2-aminoethoxy)ethyl]-3-ethyl-N-propan-2-ylcyclohexan-1-amine

N-[2-(2-aminoethoxy)ethyl]-3-ethyl-N-propan-2-ylcyclohexan-1-amine (PubChem CID 114276419) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-3-ethyl-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-3-ethyl-N-propan-2-ylcyclohexan-1-amine
PubChem CID114276419
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-3-ethyl-N-propan-2-ylcyclohexan-1-amine
SMILESCCC1CCCC(N(CCOCCN)C(C)C)C1
InChIInChI=1S/C15H32N2O/c1-4-14-6-5-7-15(12-14)17(13(2)3)9-11-18-10-8-16/h13-15H,4-12,16H2,1-3H3
InChIKeyMKIGRIYZTLOBRW-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-(2-aminoethoxy)ethyl]-3-ethyl-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-3-ethyl-N-propan-2-ylcyclohexan-1-amine (CID 114276419) is N-[2-(2-aminoethoxy)ethyl]-3-ethyl-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-3-ethyl-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-3-ethyl-N-propan-2-ylcyclohexan-1-amine is CCC1CCCC(N(CCOCCN)C(C)C)C1.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-3-ethyl-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is MKIGRIYZTLOBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-14-6-5-7-15(12-14)17(13(2)3)9-11-18-10-8-16/h13-15H,4-12,16H2,1-3H3.
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-3-ethyl-N-propan-2-ylcyclohexan-1-amine?
N-[2-(2-aminoethoxy)ethyl]-3-ethyl-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-3-ethyl-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 114276419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).