N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pentan-2-amine

C13H28N2O — CID 104961127

IUPACN-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pentan-2-amine
SMILESCCCC(C)NCCN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C13H28N2O/c1-5-6-11(2)14-7-8-15-9-12(3)16-13(4)10-15/h11-14H,5-10H2,1-4H3/t11?,12-,13+
InChIKeyAQAQSTIFJDZFQX-YHWZYXNKSA-N
MW228.38 g/mol
LogP1.87
Rot. Bonds6

About N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pentan-2-amine

N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pentan-2-amine (PubChem CID 104961127) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pentan-2-amine.

Molecular Properties

Compound NameN-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pentan-2-amine
PubChem CID104961127
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pentan-2-amine
SMILESCCCC(C)NCCN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C13H28N2O/c1-5-6-11(2)14-7-8-15-9-12(3)16-13(4)10-15/h11-14H,5-10H2,1-4H3/t11?,12-,13+
InChIKeyAQAQSTIFJDZFQX-YHWZYXNKSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Morpholineethanamine, alpha-methyl-
CID 170951
4-(Pyrrolidin-2-ylmethyl)morpholine
CID 4715221
2-(Morpholin-4-yl)propan-1-amine
CID 16641454
Hexyl[2-(morpholin-4-yl)ethyl]amine
CID 21278415
Dimethyl(2-(piperidin-4-yloxy)ethyl)amine
CID 43167826
Dimethyl(2-(piperidin-3-yloxy)ethyl)amine
CID 43196802
1-[2-(Propan-2-yloxy)ethyl]piperidin-4-amine
CID 61485350
rac-(4aR,8aS)-4-methyl-octahydro-2H-pyrido(4,3-b)(1,4)oxazine
CID 90430723
N-[2-(morpholin-4-yl)ethyl]cyclopentanamine
CID 12077343
Diethyl[2-(piperidin-4-yloxy)ethyl]amine
CID 43346288
(2R,6S)-2,6-dimethyl-4-(piperidin-4-yl)morpholine
CID 795717
2-(2,6-Dimethylmorpholin-4-yl)ethanamine
CID 2756423

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pentan-2-amine?
The IUPAC name of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pentan-2-amine (CID 104961127) is N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pentan-2-amine.
What is the SMILES notation for N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pentan-2-amine?
The canonical SMILES for N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pentan-2-amine is CCCC(C)NCCN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pentan-2-amine?
The InChIKey is AQAQSTIFJDZFQX-YHWZYXNKSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-6-11(2)14-7-8-15-9-12(3)16-13(4)10-15/h11-14H,5-10H2,1-4H3/t11?,12-,13+.
What are the key properties of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pentan-2-amine?
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pentan-2-amine has a molecular weight of 228.38 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pentan-2-amine is sourced from PubChem (CID 104961127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).