N-[2-(4-methylpentoxy)ethyl]prop-1-en-2-amine

C11H23NO — CID 153390361

IUPACN-[2-(4-methylpentoxy)ethyl]prop-1-en-2-amine
SMILESC=C(C)NCCOCCCC(C)C
InChIInChI=1S/C11H23NO/c1-10(2)6-5-8-13-9-7-12-11(3)4/h10,12H,3,5-9H2,1-2,4H3
InChIKeyZNUJWLBCDKGJFT-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.56
Rot. Bonds8

About N-[2-(4-methylpentoxy)ethyl]prop-1-en-2-amine

N-[2-(4-methylpentoxy)ethyl]prop-1-en-2-amine (PubChem CID 153390361) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-[2-(4-methylpentoxy)ethyl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-[2-(4-methylpentoxy)ethyl]prop-1-en-2-amine
PubChem CID153390361
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-[2-(4-methylpentoxy)ethyl]prop-1-en-2-amine
SMILESC=C(C)NCCOCCCC(C)C
InChIInChI=1S/C11H23NO/c1-10(2)6-5-8-13-9-7-12-11(3)4/h10,12H,3,5-9H2,1-2,4H3
InChIKeyZNUJWLBCDKGJFT-UHFFFAOYSA-N
XLogP2.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.56
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-[2-(4-methylpentoxy)ethyl]prop-1-en-2-amine?
The IUPAC name of N-[2-(4-methylpentoxy)ethyl]prop-1-en-2-amine (CID 153390361) is N-[2-(4-methylpentoxy)ethyl]prop-1-en-2-amine.
What is the SMILES notation for N-[2-(4-methylpentoxy)ethyl]prop-1-en-2-amine?
The canonical SMILES for N-[2-(4-methylpentoxy)ethyl]prop-1-en-2-amine is C=C(C)NCCOCCCC(C)C.
What is the InChIKey of N-[2-(4-methylpentoxy)ethyl]prop-1-en-2-amine?
The InChIKey is ZNUJWLBCDKGJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2)6-5-8-13-9-7-12-11(3)4/h10,12H,3,5-9H2,1-2,4H3.
What are the key properties of N-[2-(4-methylpentoxy)ethyl]prop-1-en-2-amine?
N-[2-(4-methylpentoxy)ethyl]prop-1-en-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpentoxy)ethyl]prop-1-en-2-amine is sourced from PubChem (CID 153390361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).