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

C15H31NO — CID 81033927

IUPACN-tert-butyl-3,3-dimethyl-4-(oxan-4-yl)butan-1-amine
SMILESCC(C)(CCNC(C)(C)C)CC1CCOCC1
InChIInChI=1S/C15H31NO/c1-14(2,3)16-9-8-15(4,5)12-13-6-10-17-11-7-13/h13,16H,6-12H2,1-5H3
InChIKeyKYJLIWMSIDFZRE-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds5

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

N-tert-butyl-3,3-dimethyl-4-(oxan-4-yl)butan-1-amine (PubChem CID 81033927) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-tert-butyl-3,3-dimethyl-4-(oxan-4-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3,3-dimethyl-4-(oxan-4-yl)butan-1-amine
PubChem CID81033927
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-tert-butyl-3,3-dimethyl-4-(oxan-4-yl)butan-1-amine
SMILESCC(C)(CCNC(C)(C)C)CC1CCOCC1
InChIInChI=1S/C15H31NO/c1-14(2,3)16-9-8-15(4,5)12-13-6-10-17-11-7-13/h13,16H,6-12H2,1-5H3
InChIKeyKYJLIWMSIDFZRE-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,3-dimethyl-4-(oxan-4-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-3,3-dimethyl-4-(oxan-4-yl)butan-1-amine (CID 81033927) is N-tert-butyl-3,3-dimethyl-4-(oxan-4-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-3,3-dimethyl-4-(oxan-4-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-3,3-dimethyl-4-(oxan-4-yl)butan-1-amine is CC(C)(CCNC(C)(C)C)CC1CCOCC1.
What is the InChIKey of N-tert-butyl-3,3-dimethyl-4-(oxan-4-yl)butan-1-amine?
The InChIKey is KYJLIWMSIDFZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-14(2,3)16-9-8-15(4,5)12-13-6-10-17-11-7-13/h13,16H,6-12H2,1-5H3.
What are the key properties of N-tert-butyl-3,3-dimethyl-4-(oxan-4-yl)butan-1-amine?
N-tert-butyl-3,3-dimethyl-4-(oxan-4-yl)butan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,3-dimethyl-4-(oxan-4-yl)butan-1-amine is sourced from PubChem (CID 81033927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).