N-tert-butyl-2-(3,3-dimethylbutoxymethyl)prop-2-en-1-amine

C14H29NO — CID 103074918

IUPACN-tert-butyl-2-(3,3-dimethylbutoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COCCC(C)(C)C
InChIInChI=1S/C14H29NO/c1-12(10-15-14(5,6)7)11-16-9-8-13(2,3)4/h15H,1,8-11H2,2-7H3
InChIKeyJTMSAOXCSMYNGN-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.38
Rot. Bonds6

About N-tert-butyl-2-(3,3-dimethylbutoxymethyl)prop-2-en-1-amine

N-tert-butyl-2-(3,3-dimethylbutoxymethyl)prop-2-en-1-amine (PubChem CID 103074918) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-tert-butyl-2-(3,3-dimethylbutoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(3,3-dimethylbutoxymethyl)prop-2-en-1-amine
PubChem CID103074918
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-tert-butyl-2-(3,3-dimethylbutoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COCCC(C)(C)C
InChIInChI=1S/C14H29NO/c1-12(10-15-14(5,6)7)11-16-9-8-13(2,3)4/h15H,1,8-11H2,2-7H3
InChIKeyJTMSAOXCSMYNGN-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.38
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-tert-butyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
CID 103075043
3-(methoxymethyl)-N,2-dimethylbut-3-en-2-amine
CID 59810890
3-(2-methylprop-2-enoxy)-N-propan-2-ylpropan-1-amine
CID 62342603
N-tert-butyl-2,2-dimethyl-3-prop-2-enoxypropan-1-amine
CID 79620521
N-tert-butyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine
CID 103074318
2-(methoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074358
N-tert-butyl-2-(methoxymethyl)prop-2-en-1-amine
CID 103074359
2-(methoxymethyl)-N-propylprop-2-en-1-amine
CID 103074360
2-(ethoxymethyl)-N-ethylprop-2-en-1-amine
CID 103074363
2-(ethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074365
N-tert-butyl-2-(ethoxymethyl)prop-2-en-1-amine
CID 103074366
2-(ethoxymethyl)-N-propylprop-2-en-1-amine
CID 103074367

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3,3-dimethylbutoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-(3,3-dimethylbutoxymethyl)prop-2-en-1-amine (CID 103074918) is N-tert-butyl-2-(3,3-dimethylbutoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-(3,3-dimethylbutoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-(3,3-dimethylbutoxymethyl)prop-2-en-1-amine is C=C(CNC(C)(C)C)COCCC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(3,3-dimethylbutoxymethyl)prop-2-en-1-amine?
The InChIKey is JTMSAOXCSMYNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-12(10-15-14(5,6)7)11-16-9-8-13(2,3)4/h15H,1,8-11H2,2-7H3.
What are the key properties of N-tert-butyl-2-(3,3-dimethylbutoxymethyl)prop-2-en-1-amine?
N-tert-butyl-2-(3,3-dimethylbutoxymethyl)prop-2-en-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3,3-dimethylbutoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).