4-morpholin-4-ylbutane-1,2-diamine

C8H19N3O — CID 154463097

IUPAC4-morpholin-4-ylbutane-1,2-diamine
SMILESNCC(N)CCN1CCOCC1
InChIInChI=1S/C8H19N3O/c9-7-8(10)1-2-11-3-5-12-6-4-11/h8H,1-7,9-10H2
InChIKeyHCUFJAZYCMLIKX-UHFFFAOYSA-N
MW173.26 g/mol
LogP-1.01
Rot. Bonds4

About 4-morpholin-4-ylbutane-1,2-diamine

4-morpholin-4-ylbutane-1,2-diamine (PubChem CID 154463097) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-morpholin-4-ylbutane-1,2-diamine.

Molecular Properties

Compound Name4-morpholin-4-ylbutane-1,2-diamine
PubChem CID154463097
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name4-morpholin-4-ylbutane-1,2-diamine
SMILESNCC(N)CCN1CCOCC1
InChIInChI=1S/C8H19N3O/c9-7-8(10)1-2-11-3-5-12-6-4-11/h8H,1-7,9-10H2
InChIKeyHCUFJAZYCMLIKX-UHFFFAOYSA-N
XLogP-1.01
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-morpholin-4-ylpropane-1,2-diamine
CID 50989617
2-ethyl-4-morpholin-4-ylbutan-1-amine
CID 81080457
4-[(3S)-3-methylpentyl]morpholine
CID 167092878
(2R)-1-(4-methylphenyl)sulfanyl-4-morpholin-4-ylbutan-2-amine
CID 67069266
2-methyl-N'-(2-morpholin-4-ylethyl)butane-1,4-diamine
CID 114987350
7-morpholin-4-ylheptan-1-amine
CID 28596900
1-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine
CID 62618530
4-morpholin-4-yl-N,N-di(propan-2-yl)butan-2-amine
CID 174780048
4,4-dimethyl-1-morpholin-4-ylpentan-3-ol
CID 62622858
[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine
CID 24703103
hydrazine;5-morpholin-4-ylpentan-1-amine
CID 160561706
2-N-methyl-2-N-(2-morpholin-4-ylethyl)propane-1,2-diamine;dihydrochloride
CID 119924809

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylbutane-1,2-diamine?
The IUPAC name of 4-morpholin-4-ylbutane-1,2-diamine (CID 154463097) is 4-morpholin-4-ylbutane-1,2-diamine.
What is the SMILES notation for 4-morpholin-4-ylbutane-1,2-diamine?
The canonical SMILES for 4-morpholin-4-ylbutane-1,2-diamine is NCC(N)CCN1CCOCC1.
What is the InChIKey of 4-morpholin-4-ylbutane-1,2-diamine?
The InChIKey is HCUFJAZYCMLIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c9-7-8(10)1-2-11-3-5-12-6-4-11/h8H,1-7,9-10H2.
What are the key properties of 4-morpholin-4-ylbutane-1,2-diamine?
4-morpholin-4-ylbutane-1,2-diamine has a molecular weight of 173.26 g/mol, XLogP of -1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylbutane-1,2-diamine is sourced from PubChem (CID 154463097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).