N-tert-butyl-1-[(3R,4R)-3-methyloxan-4-yl]piperidin-4-amine

C15H30N2O — CID 167574489

IUPACN-tert-butyl-1-[(3R,4R)-3-methyloxan-4-yl]piperidin-4-amine
SMILESC[C@H]1COCC[C@H]1N1CCC(NC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-12-11-18-10-7-14(12)17-8-5-13(6-9-17)16-15(2,3)4/h12-14,16H,5-11H2,1-4H3/t12-,14+/m0/s1
InChIKeyLEJGUFKUDFUVLW-GXTWGEPZSA-N
MW254.42 g/mol
LogP2.26
Rot. Bonds2

About N-tert-butyl-1-[(3R,4R)-3-methyloxan-4-yl]piperidin-4-amine

N-tert-butyl-1-[(3R,4R)-3-methyloxan-4-yl]piperidin-4-amine (PubChem CID 167574489) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-tert-butyl-1-[(3R,4R)-3-methyloxan-4-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-1-[(3R,4R)-3-methyloxan-4-yl]piperidin-4-amine
PubChem CID167574489
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-tert-butyl-1-[(3R,4R)-3-methyloxan-4-yl]piperidin-4-amine
SMILESC[C@H]1COCC[C@H]1N1CCC(NC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-12-11-18-10-7-14(12)17-8-5-13(6-9-17)16-15(2,3)4/h12-14,16H,5-11H2,1-4H3/t12-,14+/m0/s1
InChIKeyLEJGUFKUDFUVLW-GXTWGEPZSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyloxolan-3-amine
CID 58109887
3-[1-(3-methyloxan-4-yl)piperidin-4-yl]propanoic acid
CID 114240730
N-tert-butyloxetan-3-amine
CID 58469829
1-[(1R,2R)-2-methylcyclohexyl]-N-[(1S)-1-(oxan-4-yl)ethyl]piperidin-4-amine
CID 97323727
1-[(3R,4R)-3-fluorooxan-4-yl]-N-propan-2-ylpiperidin-4-amine
CID 167249154
N-tert-butylcyclopropanamine;hydrochloride
CID 55284152
N-methyl-1-(2-methyloxolan-3-yl)piperidin-4-amine
CID 82729238
tert-butyl N-[(3R,4S)-4-pyrrolidin-1-yloxan-3-yl]carbamate
CID 67358967
N-tert-butyl-4,4-difluorocyclohexan-1-amine;N-tert-butyloxan-4-amine
CID 158930420
N-methyl-1-(2-methylcyclohexyl)piperidin-4-amine
CID 43315447
1-tert-butyl-3-methyl-3,3a,4,6,7,7a-hexahydropyrano[4,3-c][1,2]oxazole
CID 15635301
N-tert-butyl-1-(cyclopropylmethyl)piperidin-4-amine
CID 58365059

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[(3R,4R)-3-methyloxan-4-yl]piperidin-4-amine?
The IUPAC name of N-tert-butyl-1-[(3R,4R)-3-methyloxan-4-yl]piperidin-4-amine (CID 167574489) is N-tert-butyl-1-[(3R,4R)-3-methyloxan-4-yl]piperidin-4-amine.
What is the SMILES notation for N-tert-butyl-1-[(3R,4R)-3-methyloxan-4-yl]piperidin-4-amine?
The canonical SMILES for N-tert-butyl-1-[(3R,4R)-3-methyloxan-4-yl]piperidin-4-amine is C[C@H]1COCC[C@H]1N1CCC(NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-1-[(3R,4R)-3-methyloxan-4-yl]piperidin-4-amine?
The InChIKey is LEJGUFKUDFUVLW-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12-11-18-10-7-14(12)17-8-5-13(6-9-17)16-15(2,3)4/h12-14,16H,5-11H2,1-4H3/t12-,14+/m0/s1.
What are the key properties of N-tert-butyl-1-[(3R,4R)-3-methyloxan-4-yl]piperidin-4-amine?
N-tert-butyl-1-[(3R,4R)-3-methyloxan-4-yl]piperidin-4-amine has a molecular weight of 254.42 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[(3R,4R)-3-methyloxan-4-yl]piperidin-4-amine is sourced from PubChem (CID 167574489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).