3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine

C12H25NO — CID 114465874

IUPAC3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine
SMILESC=C(C)COCCNCCC(C)(C)C
InChIInChI=1S/C12H25NO/c1-11(2)10-14-9-8-13-7-6-12(3,4)5/h13H,1,6-10H2,2-5H3
InChIKeySVXHWOJJVWPDBT-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.60
Rot. Bonds7

About 3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine

3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine (PubChem CID 114465874) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine
PubChem CID114465874
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine
SMILESC=C(C)COCCNCCC(C)(C)C
InChIInChI=1S/C12H25NO/c1-11(2)10-14-9-8-13-7-6-12(3,4)5/h13H,1,6-10H2,2-5H3
InChIKeySVXHWOJJVWPDBT-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-(2-fluoroethyl)-2-(2-methylprop-2-enoxy)ethanamine
CID 114467132
4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine
CID 114467137
3-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 114467702
N-ethyl-2-(2-methylprop-2-enoxy)ethanamine
CID 62336670
N-(2-prop-2-enoxyethyl)butan-1-amine
CID 62571284
2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
CID 87899351
N-[2-(2-methylprop-2-enoxy)ethyl]hexan-1-amine
CID 114465725
N-[3-(2-methylprop-2-enoxy)prop-1-en-2-yl]butan-1-amine
CID 146259276
N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 62335739
N-methyl-2-(2-methylprop-2-enoxy)propan-1-amine
CID 62337990
N-[2-(3-methylbut-2-enoxy)ethyl]propan-1-amine
CID 62338616
N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
CID 62342401

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine (CID 114465874) is 3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine is C=C(C)COCCNCCC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine?
The InChIKey is SVXHWOJJVWPDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-11(2)10-14-9-8-13-7-6-12(3,4)5/h13H,1,6-10H2,2-5H3.
What are the key properties of 3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine?
3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine is sourced from PubChem (CID 114465874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).