N-tert-butyl-4-(oxolan-2-ylmethoxy)pentan-1-amine

C14H29NO2 — CID 55077844

IUPACN-tert-butyl-4-(oxolan-2-ylmethoxy)pentan-1-amine
SMILESCC(CCCNC(C)(C)C)OCC1CCCO1
InChIInChI=1S/C14H29NO2/c1-12(7-5-9-15-14(2,3)4)17-11-13-8-6-10-16-13/h12-13,15H,5-11H2,1-4H3
InChIKeyQQXFQQYDVKLLIW-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.74
Rot. Bonds7

About N-tert-butyl-4-(oxolan-2-ylmethoxy)pentan-1-amine

N-tert-butyl-4-(oxolan-2-ylmethoxy)pentan-1-amine (PubChem CID 55077844) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-tert-butyl-4-(oxolan-2-ylmethoxy)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(oxolan-2-ylmethoxy)pentan-1-amine
PubChem CID55077844
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-tert-butyl-4-(oxolan-2-ylmethoxy)pentan-1-amine
SMILESCC(CCCNC(C)(C)C)OCC1CCCO1
InChIInChI=1S/C14H29NO2/c1-12(7-5-9-15-14(2,3)4)17-11-13-8-6-10-16-13/h12-13,15H,5-11H2,1-4H3
InChIKeyQQXFQQYDVKLLIW-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-3-methyl-6-(oxolan-2-yl)hexan-1-amine
CID 81020024
N'-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]propane-1,3-diamine
CID 104856051
N-(3-ethoxypropyl)-2-(oxolan-2-ylmethoxy)propan-1-amine
CID 55088682
N-[2-(oxolan-2-ylmethoxy)propyl]cyclopentanamine
CID 62572194
1-N-tert-butyl-3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine
CID 62436071
N-[2-(oxolan-2-ylmethoxy)propyl]cyclohexanamine
CID 62572342
methyl 2-amino-2-methyl-4-(oxolan-2-ylmethoxy)pentanoate
CID 64708810
N'-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104855994
N'-tert-butyl-N-(oxan-2-ylmethyl)propane-1,3-diamine
CID 60694368
(3R)-3-(oxolan-2-ylmethoxy)butanoic acid
CID 103547787
2-methyl-4-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)pentanamide
CID 64706325
N-[2-(oxolan-2-ylmethoxy)propyl]aniline
CID 55088776

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(oxolan-2-ylmethoxy)pentan-1-amine?
The IUPAC name of N-tert-butyl-4-(oxolan-2-ylmethoxy)pentan-1-amine (CID 55077844) is N-tert-butyl-4-(oxolan-2-ylmethoxy)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(oxolan-2-ylmethoxy)pentan-1-amine?
The canonical SMILES for N-tert-butyl-4-(oxolan-2-ylmethoxy)pentan-1-amine is CC(CCCNC(C)(C)C)OCC1CCCO1.
What is the InChIKey of N-tert-butyl-4-(oxolan-2-ylmethoxy)pentan-1-amine?
The InChIKey is QQXFQQYDVKLLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-12(7-5-9-15-14(2,3)4)17-11-13-8-6-10-16-13/h12-13,15H,5-11H2,1-4H3.
What are the key properties of N-tert-butyl-4-(oxolan-2-ylmethoxy)pentan-1-amine?
N-tert-butyl-4-(oxolan-2-ylmethoxy)pentan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(oxolan-2-ylmethoxy)pentan-1-amine is sourced from PubChem (CID 55077844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).