N-[2-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethyl]propan-2-amine

C13H29N3O — CID 154962749

IUPACN-[2-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethyl]propan-2-amine
SMILESCC(C)NCCN1CCOC(CNC(C)C)C1
InChIInChI=1S/C13H29N3O/c1-11(2)14-5-6-16-7-8-17-13(10-16)9-15-12(3)4/h11-15H,5-10H2,1-4H3
InChIKeyJXQVNXVKUIRXMF-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.68
Rot. Bonds7

About N-[2-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethyl]propan-2-amine

N-[2-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethyl]propan-2-amine (PubChem CID 154962749) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[2-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethyl]propan-2-amine
PubChem CID154962749
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC NameN-[2-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethyl]propan-2-amine
SMILESCC(C)NCCN1CCOC(CNC(C)C)C1
InChIInChI=1S/C13H29N3O/c1-11(2)14-5-6-16-7-8-17-13(10-16)9-15-12(3)4/h11-15H,5-10H2,1-4H3
InChIKeyJXQVNXVKUIRXMF-UHFFFAOYSA-N
XLogP0.68
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-ethylmorpholin-4-yl)ethyl]propan-2-amine
CID 60843262
N-[2-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]methyl]morpholin-4-yl]ethyl]propan-2-amine
CID 146245769
N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 96645037
N-methyl-N-propan-2-yl-3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propan-1-amine
CID 168856384
N,2-dimethyl-N-[3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propyl]propan-1-amine
CID 161322486
N-[2-(2-ethylmorpholin-4-yl)ethyl]butan-2-amine
CID 60853221
2-methyl-N-[2-[(2S)-2-[(2-methylpropylamino)methyl]morpholin-4-yl]ethyl]propan-1-amine
CID 138728370
[[4-[2-[2-(propan-2-ylamino)ethoxy]ethyl]morpholin-2-yl]methylamino]methanethiol
CID 170250687
N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine
CID 155188422
N-[2-(2-ethylmorpholin-4-yl)ethyl]-1-methoxypropan-2-amine
CID 62559859
2-methyl-N-[[(2R)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 170057363
S-methyl N-[[4-[2-[2-(propan-2-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]carbamothioate
CID 138727912

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethyl]propan-2-amine (CID 154962749) is N-[2-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethyl]propan-2-amine is CC(C)NCCN1CCOC(CNC(C)C)C1.
What is the InChIKey of N-[2-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethyl]propan-2-amine?
The InChIKey is JXQVNXVKUIRXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-11(2)14-5-6-16-7-8-17-13(10-16)9-15-12(3)4/h11-15H,5-10H2,1-4H3.
What are the key properties of N-[2-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethyl]propan-2-amine?
N-[2-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethyl]propan-2-amine has a molecular weight of 243.39 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethyl]propan-2-amine is sourced from PubChem (CID 154962749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).