N-(2-methoxyethyl)-3,3-dimethylbut-1-en-2-amine

C9H19NO — CID 130397232

IUPACN-(2-methoxyethyl)-3,3-dimethylbut-1-en-2-amine
SMILESC=C(NCCOC)C(C)(C)C
InChIInChI=1S/C9H19NO/c1-8(9(2,3)4)10-6-7-11-5/h10H,1,6-7H2,2-5H3
InChIKeyKIIDOXBECJMKNN-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.78
Rot. Bonds4

About N-(2-methoxyethyl)-3,3-dimethylbut-1-en-2-amine

N-(2-methoxyethyl)-3,3-dimethylbut-1-en-2-amine (PubChem CID 130397232) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3,3-dimethylbut-1-en-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3,3-dimethylbut-1-en-2-amine
PubChem CID130397232
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-(2-methoxyethyl)-3,3-dimethylbut-1-en-2-amine
SMILESC=C(NCCOC)C(C)(C)C
InChIInChI=1S/C9H19NO/c1-8(9(2,3)4)10-6-7-11-5/h10H,1,6-7H2,2-5H3
InChIKeyKIIDOXBECJMKNN-UHFFFAOYSA-N
XLogP1.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.78
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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Related Compounds

N-(3-methoxypropyl)but-1-en-2-amine
CID 90245952
2-(3,3-Dimethylbut-1-en-2-ylamino)ethanol
CID 130397230
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3-dimethylhexa-1,4,5-trien-2-amine
CID 132237587
N-(2-propoxyethyl)pent-1-en-2-amine
CID 138501964
N-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine
CID 142615767
3-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]but-1-en-2-amine
CID 142616354
4-N-(2-ethoxyethyl)pent-4-ene-1,4-diamine;propane
CID 143826307
N-(2-methoxyethyl)but-1-en-2-amine
CID 148860471
N-(2-propoxyethyl)but-1-en-2-amine
CID 149018825
N-(3-methylbut-1-en-2-yl)oxetan-3-amine
CID 154962540
N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylbut-1-en-2-amine
CID 155751057
3-methyl-N-(2-propan-2-yloxyethyl)but-1-en-2-amine
CID 156164804

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3,3-dimethylbut-1-en-2-amine?
The IUPAC name of N-(2-methoxyethyl)-3,3-dimethylbut-1-en-2-amine (CID 130397232) is N-(2-methoxyethyl)-3,3-dimethylbut-1-en-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3,3-dimethylbut-1-en-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-3,3-dimethylbut-1-en-2-amine is C=C(NCCOC)C(C)(C)C.
What is the InChIKey of N-(2-methoxyethyl)-3,3-dimethylbut-1-en-2-amine?
The InChIKey is KIIDOXBECJMKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(9(2,3)4)10-6-7-11-5/h10H,1,6-7H2,2-5H3.
What are the key properties of N-(2-methoxyethyl)-3,3-dimethylbut-1-en-2-amine?
N-(2-methoxyethyl)-3,3-dimethylbut-1-en-2-amine has a molecular weight of 157.26 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3,3-dimethylbut-1-en-2-amine is sourced from PubChem (CID 130397232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).