N-tert-butyl-2,2-dimethylpropan-1-amine;(E)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-imine

C18H40N2O — CID 172939419

IUPACN-tert-butyl-2,2-dimethylpropan-1-amine;(E)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-imine
SMILESCC(C)(C)/C=N/OC(C)(C)C.CC(C)(C)CNC(C)(C)C
InChIInChI=1S/C9H19NO.C9H21N/c1-8(2,3)7-10-11-9(4,5)6;1-8(2,3)7-10-9(4,5)6/h7H,1-6H3;10H,7H2,1-6H3/b10-7+;
InChIKeyDFOYMBXGRYFZQE-HCUGZAAXSA-N
MW300.53 g/mol
LogP5.25
Rot. Bonds2

About N-tert-butyl-2,2-dimethylpropan-1-amine;(E)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-imine

N-tert-butyl-2,2-dimethylpropan-1-amine;(E)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-imine (PubChem CID 172939419) has the molecular formula C18H40N2O and a molecular weight of 300.53 g/mol. Its IUPAC name is N-tert-butyl-2,2-dimethylpropan-1-amine;(E)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-imine.

Molecular Properties

Compound NameN-tert-butyl-2,2-dimethylpropan-1-amine;(E)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-imine
PubChem CID172939419
Molecular FormulaC18H40N2O
Molecular Weight300.53 g/mol
Exact Mass300.31
IUPAC NameN-tert-butyl-2,2-dimethylpropan-1-amine;(E)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-imine
SMILESCC(C)(C)/C=N/OC(C)(C)C.CC(C)(C)CNC(C)(C)C
InChIInChI=1S/C9H19NO.C9H21N/c1-8(2,3)7-10-11-9(4,5)6;1-8(2,3)7-10-9(4,5)6/h7H,1-6H3;10H,7H2,1-6H3/b10-7+;
InChIKeyDFOYMBXGRYFZQE-HCUGZAAXSA-N
XLogP5.25
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.53
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-ethoxy-2,2-dimethylpropan-1-imine
CID 58714329
N-tert-butyl-2,2-diethyl-5,5-dimethylhexan-1-amine
CID 63507085
N-tert-butyl-2-ethyl-2-methylbutan-1-amine
CID 62724057
2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-amine
CID 58200142
3-(2,2-dimethylpropylamino)-2,3-dimethylbutan-2-ol
CID 106185784
tert-butyl N-[2-(2,2-dimethylpropylamino)-2,3-dimethylbutyl]carbamate
CID 107252614
2,2-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propan-1-imine
CID 602213
(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-amine
CID 13445284
N-[2,2-difluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine
CID 161286345
N-tert-butyl-2,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine
CID 83150555
N-tert-butyl-2,2-dimethyl-3-(3,3,3-trifluoropropoxy)propan-1-amine
CID 82956991
N-tert-butyl-5-ethoxy-2-methyl-2-propylpentan-1-amine
CID 65177873

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,2-dimethylpropan-1-amine;(E)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-imine?
The IUPAC name of N-tert-butyl-2,2-dimethylpropan-1-amine;(E)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-imine (CID 172939419) is N-tert-butyl-2,2-dimethylpropan-1-amine;(E)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-imine.
What is the SMILES notation for N-tert-butyl-2,2-dimethylpropan-1-amine;(E)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-imine?
The canonical SMILES for N-tert-butyl-2,2-dimethylpropan-1-amine;(E)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-imine is CC(C)(C)/C=N/OC(C)(C)C.CC(C)(C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2,2-dimethylpropan-1-amine;(E)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-imine?
The InChIKey is DFOYMBXGRYFZQE-HCUGZAAXSA-N. The full InChI is InChI=1S/C9H19NO.C9H21N/c1-8(2,3)7-10-11-9(4,5)6;1-8(2,3)7-10-9(4,5)6/h7H,1-6H3;10H,7H2,1-6H3/b10-7+;.
What are the key properties of N-tert-butyl-2,2-dimethylpropan-1-amine;(E)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-imine?
N-tert-butyl-2,2-dimethylpropan-1-amine;(E)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-imine has a molecular weight of 300.53 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2-dimethylpropan-1-amine;(E)-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]propan-1-imine is sourced from PubChem (CID 172939419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).