N-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-1-amine

C14H31NO — CID 170276142

IUPACN-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-1-amine
SMILESCC(CNC(C)(C)C)CC(C)OC(C)(C)C
InChIInChI=1S/C14H31NO/c1-11(10-15-13(3,4)5)9-12(2)16-14(6,7)8/h11-12,15H,9-10H2,1-8H3
InChIKeyMIPOTUHQDBMYKI-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.60
Rot. Bonds5

About N-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-1-amine

N-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-1-amine (PubChem CID 170276142) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-1-amine
PubChem CID170276142
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC NameN-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-1-amine
SMILESCC(CNC(C)(C)C)CC(C)OC(C)(C)C
InChIInChI=1S/C14H31NO/c1-11(10-15-13(3,4)5)9-12(2)16-14(6,7)8/h11-12,15H,9-10H2,1-8H3
InChIKeyMIPOTUHQDBMYKI-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxypropyl)-2-methylpropan-2-amine
CID 62446177
N-tert-butyl-2-methylpentan-1-amine
CID 43200440
N-tert-butyl-2,5,5-trimethylhexan-1-amine
CID 62529296
methyl 4-(tert-butylamino)-3-methylbutanoate
CID 13402644
2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-2-amine
CID 112589746
(2S)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 3086386
N-tert-butyl-2-methyl-3-(2-propoxyethoxy)propan-1-amine
CID 103074770
N-tert-butyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-amine
CID 79184555
N-tert-butyl-2-methyl-3-octan-2-yloxypropan-1-amine
CID 103074508
N-[2-(2-methoxyethoxy)propyl]-2-methylpropan-2-amine
CID 62457300
2-methyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]propan-2-amine
CID 66275746
N-tert-butyl-2-fluoro-4-methylhexan-1-amine
CID 107446596

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-1-amine (CID 170276142) is N-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-1-amine is CC(CNC(C)(C)C)CC(C)OC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-1-amine?
The InChIKey is MIPOTUHQDBMYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-11(10-15-13(3,4)5)9-12(2)16-14(6,7)8/h11-12,15H,9-10H2,1-8H3.
What are the key properties of N-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-1-amine?
N-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-1-amine is sourced from PubChem (CID 170276142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).