3,4-bis(2-aminoethylamino)hexanedial

C10H22N4O2 — CID 21019160

IUPAC3,4-bis(2-aminoethylamino)hexanedial
SMILESNCCNC(CC=O)C(CC=O)NCCN
InChIInChI=1S/C10H22N4O2/c11-3-5-13-9(1-7-15)10(2-8-16)14-6-4-12/h7-10,13-14H,1-6,11-12H2
InChIKeyUHYUJWFDAXRZJP-UHFFFAOYSA-N
MW230.31 g/mol
LogP-2.00
Rot. Bonds11

About 3,4-bis(2-aminoethylamino)hexanedial

3,4-bis(2-aminoethylamino)hexanedial (PubChem CID 21019160) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3,4-bis(2-aminoethylamino)hexanedial.

Molecular Properties

Compound Name3,4-bis(2-aminoethylamino)hexanedial
PubChem CID21019160
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC Name3,4-bis(2-aminoethylamino)hexanedial
SMILESNCCNC(CC=O)C(CC=O)NCCN
InChIInChI=1S/C10H22N4O2/c11-3-5-13-9(1-7-15)10(2-8-16)14-6-4-12/h7-10,13-14H,1-6,11-12H2
InChIKeyUHYUJWFDAXRZJP-UHFFFAOYSA-N
XLogP-2.00
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-2.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2-aminoethyl)-1-N'-[2-(2-aminoethylamino)ethyl]ethane-1,1-diamine
CID 18468827
N'-but-3-yn-2-ylethane-1,2-diamine
CID 15065593
N'-(1-iodoethyl)ethane-1,2-diamine
CID 89021038
N'-hex-5-en-2-ylethane-1,2-diamine
CID 104655615
2-(2-aminoethylamino)propanamide
CID 20551229
1-amino-2-(2-aminoethylamino)propane-1,3-diol
CID 91174752
(1S)-1-(2-aminoethylamino)propane-1,2-diol
CID 174340502
2-(2-aminoethylamino)propanoic acid;hydrochloride
CID 175693508
CID 172753617
CID 172753617
N'-butan-2-ylethane-1,2-diamine;ethane
CID 142992990
N'-[2-[2-[2-(propan-2-ylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 87748300
N'-(1,1-difluoropropan-2-yl)ethane-1,2-diamine
CID 102869079

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(2-aminoethylamino)hexanedial?
The IUPAC name of 3,4-bis(2-aminoethylamino)hexanedial (CID 21019160) is 3,4-bis(2-aminoethylamino)hexanedial.
What is the SMILES notation for 3,4-bis(2-aminoethylamino)hexanedial?
The canonical SMILES for 3,4-bis(2-aminoethylamino)hexanedial is NCCNC(CC=O)C(CC=O)NCCN.
What is the InChIKey of 3,4-bis(2-aminoethylamino)hexanedial?
The InChIKey is UHYUJWFDAXRZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2/c11-3-5-13-9(1-7-15)10(2-8-16)14-6-4-12/h7-10,13-14H,1-6,11-12H2.
What are the key properties of 3,4-bis(2-aminoethylamino)hexanedial?
3,4-bis(2-aminoethylamino)hexanedial has a molecular weight of 230.31 g/mol, XLogP of -2.00, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(2-aminoethylamino)hexanedial is sourced from PubChem (CID 21019160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).