3-N-[2-(methylamino)ethyl]butane-1,3-diamine

C7H19N3 — CID 90769652

IUPAC3-N-[2-(methylamino)ethyl]butane-1,3-diamine
SMILESCNCCNC(C)CCN
InChIInChI=1S/C7H19N3/c1-7(3-4-8)10-6-5-9-2/h7,9-10H,3-6,8H2,1-2H3
InChIKeyUPDRUBAWEYQNMZ-UHFFFAOYSA-N
MW145.25 g/mol
LogP-0.47
Rot. Bonds6

About 3-N-[2-(methylamino)ethyl]butane-1,3-diamine

3-N-[2-(methylamino)ethyl]butane-1,3-diamine (PubChem CID 90769652) has the molecular formula C7H19N3 and a molecular weight of 145.25 g/mol. Its IUPAC name is 3-N-[2-(methylamino)ethyl]butane-1,3-diamine.

Molecular Properties

Compound Name3-N-[2-(methylamino)ethyl]butane-1,3-diamine
PubChem CID90769652
Molecular FormulaC7H19N3
Molecular Weight145.25 g/mol
Exact Mass145.16
IUPAC Name3-N-[2-(methylamino)ethyl]butane-1,3-diamine
SMILESCNCCNC(C)CCN
InChIInChI=1S/C7H19N3/c1-7(3-4-8)10-6-5-9-2/h7,9-10H,3-6,8H2,1-2H3
InChIKeyUPDRUBAWEYQNMZ-UHFFFAOYSA-N
XLogP-0.47
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-[2-(methylamino)ethyl]propane-1,2-diamine
CID 91508922
3-N-(4-aminobutan-2-yl)propane-1,1,3-triamine
CID 154520906
3-(2-aminoethylamino)butylphosphonic acid
CID 57078809
N'-(5-methylhexan-2-yl)propane-1,3-diamine
CID 60889893
N'-hex-5-en-2-ylethane-1,2-diamine
CID 104655615
2-[4-(methylamino)butan-2-ylamino]acetamide
CID 87765136
N-(4-aminobutan-2-yl)-N'-(3-aminopropyl)-2-methylbutane-1,4-diamine
CID 142765036
3-[3-(methylamino)propylsulfanyl]butan-1-amine
CID 106318364
3-N-(2-ethylpentyl)butane-1,3-diamine
CID 143412123
3-N-[2-(3-ethoxycyclobutyl)ethyl]butane-1,3-diamine
CID 103163527
N'-[2-[2-[2-[2-[2-(butan-2-ylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 130342854
(2R)-6-methyl-N-(3-methylbutyl)heptan-2-amine
CID 38989018

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(methylamino)ethyl]butane-1,3-diamine?
The IUPAC name of 3-N-[2-(methylamino)ethyl]butane-1,3-diamine (CID 90769652) is 3-N-[2-(methylamino)ethyl]butane-1,3-diamine.
What is the SMILES notation for 3-N-[2-(methylamino)ethyl]butane-1,3-diamine?
The canonical SMILES for 3-N-[2-(methylamino)ethyl]butane-1,3-diamine is CNCCNC(C)CCN.
What is the InChIKey of 3-N-[2-(methylamino)ethyl]butane-1,3-diamine?
The InChIKey is UPDRUBAWEYQNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3/c1-7(3-4-8)10-6-5-9-2/h7,9-10H,3-6,8H2,1-2H3.
What are the key properties of 3-N-[2-(methylamino)ethyl]butane-1,3-diamine?
3-N-[2-(methylamino)ethyl]butane-1,3-diamine has a molecular weight of 145.25 g/mol, XLogP of -0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(methylamino)ethyl]butane-1,3-diamine is sourced from PubChem (CID 90769652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).