N-tert-butyl-2,2-dimethyl-3-(oxan-4-yl)propan-1-amine

C14H29NO — CID 62724749

IUPACN-tert-butyl-2,2-dimethyl-3-(oxan-4-yl)propan-1-amine
SMILESCC(C)(CNC(C)(C)C)CC1CCOCC1
InChIInChI=1S/C14H29NO/c1-13(2,3)15-11-14(4,5)10-12-6-8-16-9-7-12/h12,15H,6-11H2,1-5H3
InChIKeyONXFMKQQYFHKQK-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds4

About N-tert-butyl-2,2-dimethyl-3-(oxan-4-yl)propan-1-amine

N-tert-butyl-2,2-dimethyl-3-(oxan-4-yl)propan-1-amine (PubChem CID 62724749) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-tert-butyl-2,2-dimethyl-3-(oxan-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2,2-dimethyl-3-(oxan-4-yl)propan-1-amine
PubChem CID62724749
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-tert-butyl-2,2-dimethyl-3-(oxan-4-yl)propan-1-amine
SMILESCC(C)(CNC(C)(C)C)CC1CCOCC1
InChIInChI=1S/C14H29NO/c1-13(2,3)15-11-14(4,5)10-12-6-8-16-9-7-12/h12,15H,6-11H2,1-5H3
InChIKeyONXFMKQQYFHKQK-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,2-dimethyl-3-(oxan-4-yl)propan-1-amine?
The IUPAC name of N-tert-butyl-2,2-dimethyl-3-(oxan-4-yl)propan-1-amine (CID 62724749) is N-tert-butyl-2,2-dimethyl-3-(oxan-4-yl)propan-1-amine.
What is the SMILES notation for N-tert-butyl-2,2-dimethyl-3-(oxan-4-yl)propan-1-amine?
The canonical SMILES for N-tert-butyl-2,2-dimethyl-3-(oxan-4-yl)propan-1-amine is CC(C)(CNC(C)(C)C)CC1CCOCC1.
What is the InChIKey of N-tert-butyl-2,2-dimethyl-3-(oxan-4-yl)propan-1-amine?
The InChIKey is ONXFMKQQYFHKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-13(2,3)15-11-14(4,5)10-12-6-8-16-9-7-12/h12,15H,6-11H2,1-5H3.
What are the key properties of N-tert-butyl-2,2-dimethyl-3-(oxan-4-yl)propan-1-amine?
N-tert-butyl-2,2-dimethyl-3-(oxan-4-yl)propan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2-dimethyl-3-(oxan-4-yl)propan-1-amine is sourced from PubChem (CID 62724749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).