N-tert-butyl-3-methyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine

C19H31NO — CID 79342446

IUPACN-tert-butyl-3-methyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine
SMILESCC(C)Oc1ccc(C=C(CNC(C)(C)C)C(C)C)cc1
InChIInChI=1S/C19H31NO/c1-14(2)17(13-20-19(5,6)7)12-16-8-10-18(11-9-16)21-15(3)4/h8-12,14-15,20H,13H2,1-7H3
InChIKeyLNUNNWPOJYLNLH-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.90
Rot. Bonds6

About N-tert-butyl-3-methyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine

N-tert-butyl-3-methyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine (PubChem CID 79342446) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine
PubChem CID79342446
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-tert-butyl-3-methyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine
SMILESCC(C)Oc1ccc(C=C(CNC(C)(C)C)C(C)C)cc1
InChIInChI=1S/C19H31NO/c1-14(2)17(13-20-19(5,6)7)12-16-8-10-18(11-9-16)21-15(3)4/h8-12,14-15,20H,13H2,1-7H3
InChIKeyLNUNNWPOJYLNLH-UHFFFAOYSA-N
XLogP4.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-dimethyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine
CID 79339946
(2Z)-N-tert-butyl-2-[[4-(difluoromethyl)phenyl]methylidene]-3-methylbutan-1-amine
CID 115525791
2-[(4-bromo-3-methylphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine
CID 79338842
(2E)-N-tert-butyl-2-[(6-methoxy-3-pyridinyl)methylidene]-3-methylbutan-1-amine
CID 114938948
N-tert-butyl-3-methyl-2-(thiophen-3-ylmethylidene)butan-1-amine
CID 79338658
2-methyl-3-(4-propan-2-yloxyphenyl)-N-propylprop-2-en-1-amine
CID 79340910
2-[(5-bromo-2-methoxyphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine
CID 79338927
2-hydroxy-2-methyl-3-(4-propan-2-yloxyanilino)propanoic acid
CID 104643867
2-(4-propan-2-yloxyanilino)acetic acid
CID 28969819
N-tert-butyl-2-[(2-tert-butyl-1,3-thiazol-4-yl)methylidene]-3-methylbutan-1-amine
CID 104863094
tert-butyl (E)-3-(4-propan-2-yloxyphenyl)prop-2-enoate
CID 130331817
(Z)-N-tert-butyl-3-[4-(difluoromethyl)phenyl]-2-methylprop-2-en-1-amine
CID 113328657

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine?
The IUPAC name of N-tert-butyl-3-methyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine (CID 79342446) is N-tert-butyl-3-methyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine.
What is the SMILES notation for N-tert-butyl-3-methyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine?
The canonical SMILES for N-tert-butyl-3-methyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine is CC(C)Oc1ccc(C=C(CNC(C)(C)C)C(C)C)cc1.
What is the InChIKey of N-tert-butyl-3-methyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine?
The InChIKey is LNUNNWPOJYLNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14(2)17(13-20-19(5,6)7)12-16-8-10-18(11-9-16)21-15(3)4/h8-12,14-15,20H,13H2,1-7H3.
What are the key properties of N-tert-butyl-3-methyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine?
N-tert-butyl-3-methyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine is sourced from PubChem (CID 79342446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).