N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]but-3-en-2-amine

C11H24N2O — CID 177203664

IUPACN-[2-[2-(propan-2-ylamino)ethoxy]ethyl]but-3-en-2-amine
SMILESC=CC(C)NCCOCCNC(C)C
InChIInChI=1S/C11H24N2O/c1-5-11(4)13-7-9-14-8-6-12-10(2)3/h5,10-13H,1,6-9H2,2-4H3
InChIKeyMDPQABBEFWBJPF-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.17
Rot. Bonds9

About N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]but-3-en-2-amine

N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]but-3-en-2-amine (PubChem CID 177203664) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]but-3-en-2-amine.

Molecular Properties

Compound NameN-[2-[2-(propan-2-ylamino)ethoxy]ethyl]but-3-en-2-amine
PubChem CID177203664
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN-[2-[2-(propan-2-ylamino)ethoxy]ethyl]but-3-en-2-amine
SMILESC=CC(C)NCCOCCNC(C)C
InChIInChI=1S/C11H24N2O/c1-5-11(4)13-7-9-14-8-6-12-10(2)3/h5,10-13H,1,6-9H2,2-4H3
InChIKeyMDPQABBEFWBJPF-UHFFFAOYSA-N
XLogP1.17
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1-Methoxypropan-2-yl)(prop-2-en-1-yl)amine hydrochloride
CID 122163976
Vinyl-2-aminoethyl ether
CID 88831914
(1-Methoxypropan-2-yl)(prop-2-en-1-yl)amine
CID 60688514
N-ethyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
CID 103215661
N-propyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
CID 103215667
N-[2-(2,2-difluoroethoxy)ethyl]but-3-en-2-amine
CID 105910292
N-(2-but-3-enoxyethyl)-1,1-difluoropropan-2-amine
CID 106397113
N-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-2-amine
CID 116145908
(E)-N-[2-[2-[2-(but-3-enylamino)ethoxy]ethoxy]ethyl]but-2-en-1-amine
CID 22094762
N-methyl-2-pent-4-enoxyethanamine
CID 55299295
N-(1-methoxypropan-2-yl)but-3-en-1-amine
CID 57591334
1-methoxy-N-methylbut-3-en-2-amine
CID 65576189

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]but-3-en-2-amine?
The IUPAC name of N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]but-3-en-2-amine (CID 177203664) is N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]but-3-en-2-amine.
What is the SMILES notation for N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]but-3-en-2-amine?
The canonical SMILES for N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]but-3-en-2-amine is C=CC(C)NCCOCCNC(C)C.
What is the InChIKey of N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]but-3-en-2-amine?
The InChIKey is MDPQABBEFWBJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-5-11(4)13-7-9-14-8-6-12-10(2)3/h5,10-13H,1,6-9H2,2-4H3.
What are the key properties of N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]but-3-en-2-amine?
N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]but-3-en-2-amine has a molecular weight of 200.33 g/mol, XLogP of 1.17, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]but-3-en-2-amine is sourced from PubChem (CID 177203664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).