N',N'-dimethyl-N-(1-morpholin-3-ylpropan-2-yl)butane-1,4-diamine

C13H29N3O — CID 113461930

IUPACN',N'-dimethyl-N-(1-morpholin-3-ylpropan-2-yl)butane-1,4-diamine
SMILESCC(CC1COCCN1)NCCCCN(C)C
InChIInChI=1S/C13H29N3O/c1-12(10-13-11-17-9-7-15-13)14-6-4-5-8-16(2)3/h12-15H,4-11H2,1-3H3
InChIKeyYHFJMSOWDYGHIP-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.68
Rot. Bonds8

About N',N'-dimethyl-N-(1-morpholin-3-ylpropan-2-yl)butane-1,4-diamine

N',N'-dimethyl-N-(1-morpholin-3-ylpropan-2-yl)butane-1,4-diamine (PubChem CID 113461930) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is N',N'-dimethyl-N-(1-morpholin-3-ylpropan-2-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(1-morpholin-3-ylpropan-2-yl)butane-1,4-diamine
PubChem CID113461930
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC NameN',N'-dimethyl-N-(1-morpholin-3-ylpropan-2-yl)butane-1,4-diamine
SMILESCC(CC1COCCN1)NCCCCN(C)C
InChIInChI=1S/C13H29N3O/c1-12(10-13-11-17-9-7-15-13)14-6-4-5-8-16(2)3/h12-15H,4-11H2,1-3H3
InChIKeyYHFJMSOWDYGHIP-UHFFFAOYSA-N
XLogP0.68
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N,N'-trimethyl-N'-(1-morpholin-3-ylpropan-2-yl)propane-1,3-diamine
CID 113462221
N-[3-(2-methoxyethoxy)propyl]-1-morpholin-3-ylpropan-2-amine
CID 113461867
tert-butyl N-methyl-N-[2-(1-morpholin-3-ylpropan-2-ylamino)ethyl]carbamate
CID 107244961
N-[2-(1-morpholin-3-ylpropan-2-ylamino)ethyl]cyclopropanecarboxamide
CID 113481318
1-morpholin-3-yl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine
CID 114173708
3-(2-methylpropyl)morpholine
CID 20811826
3-ethyl-1-(1-morpholin-3-ylpropan-2-ylamino)pentan-2-ol
CID 106284470
4-[(1-morpholin-3-ylpropan-2-ylamino)methyl]cyclohexan-1-ol
CID 106124715
tert-butyl N-[4-(1-morpholin-3-ylpropan-2-ylamino)butan-2-yl]carbamate
CID 107246908
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-morpholin-3-ylpropan-2-amine
CID 113461976
(2R)-2-(1-morpholin-3-ylpropan-2-ylamino)butan-1-ol
CID 104868849
4-[(1-morpholin-3-ylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 114181230

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(1-morpholin-3-ylpropan-2-yl)butane-1,4-diamine?
The IUPAC name of N',N'-dimethyl-N-(1-morpholin-3-ylpropan-2-yl)butane-1,4-diamine (CID 113461930) is N',N'-dimethyl-N-(1-morpholin-3-ylpropan-2-yl)butane-1,4-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(1-morpholin-3-ylpropan-2-yl)butane-1,4-diamine?
The canonical SMILES for N',N'-dimethyl-N-(1-morpholin-3-ylpropan-2-yl)butane-1,4-diamine is CC(CC1COCCN1)NCCCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-(1-morpholin-3-ylpropan-2-yl)butane-1,4-diamine?
The InChIKey is YHFJMSOWDYGHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-12(10-13-11-17-9-7-15-13)14-6-4-5-8-16(2)3/h12-15H,4-11H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-(1-morpholin-3-ylpropan-2-yl)butane-1,4-diamine?
N',N'-dimethyl-N-(1-morpholin-3-ylpropan-2-yl)butane-1,4-diamine has a molecular weight of 243.39 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(1-morpholin-3-ylpropan-2-yl)butane-1,4-diamine is sourced from PubChem (CID 113461930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).