6-aminohexylcarbamic acid;ethane-1,2-diol;bis(prop-1-ene)

C15H34N2O4 — CID 173415166

IUPAC6-aminohexylcarbamic acid;ethane-1,2-diol;bis(prop-1-ene)
SMILESC=CC.C=CC.NCCCCCCNC(=O)O.OCCO
InChIInChI=1S/C7H16N2O2.2C3H6.C2H6O2/c8-5-3-1-2-4-6-9-7(10)11;2*1-3-2;3-1-2-4/h9H,1-6,8H2,(H,10,11);2*3H,1H2,2H3;3-4H,1-2H2
InChIKeyZWMMNSQJYQJUFA-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.13
Rot. Bonds7

About 6-aminohexylcarbamic acid;ethane-1,2-diol;bis(prop-1-ene)

6-aminohexylcarbamic acid;ethane-1,2-diol;bis(prop-1-ene) (PubChem CID 173415166) has the molecular formula C15H34N2O4 and a molecular weight of 306.45 g/mol. Its IUPAC name is 6-aminohexylcarbamic acid;ethane-1,2-diol;bis(prop-1-ene).

Molecular Properties

Compound Name6-aminohexylcarbamic acid;ethane-1,2-diol;bis(prop-1-ene)
PubChem CID173415166
Molecular FormulaC15H34N2O4
Molecular Weight306.45 g/mol
Exact Mass306.25
IUPAC Name6-aminohexylcarbamic acid;ethane-1,2-diol;bis(prop-1-ene)
SMILESC=CC.C=CC.NCCCCCCNC(=O)O.OCCO
InChIInChI=1S/C7H16N2O2.2C3H6.C2H6O2/c8-5-3-1-2-4-6-9-7(10)11;2*1-3-2;3-1-2-4/h9H,1-6,8H2,(H,10,11);2*3H,1H2,2H3;3-4H,1-2H2
InChIKeyZWMMNSQJYQJUFA-UHFFFAOYSA-N
XLogP2.13
TPSA115.81 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-aminohexylcarbamic acid;ethane-1,2-diol;bis(prop-1-ene) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-aminopropylcarbamic acid
CID 3023499
5-aminopentylcarbamic acid;N-methylhexan-1-amine;hydrate
CID 159293872
N-(4-aminobutyl)prop-2-enamide;hydrochloride
CID 19429106
CID 162306513
CID 162306513
6-(2-hydroxyethylamino)hexylcarbamic acid
CID 18423740
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N-(6-aminohexyl)-2-chloroacetamide
CID 14484874
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide
CID 161046106
N-(8-aminooctyl)-2-methylprop-2-enamide
CID 86094836
4-aminobutylcarbamic acid;2,6-diaminohexanoic acid
CID 174985893

Frequently Asked Questions

What is the IUPAC name of 6-aminohexylcarbamic acid;ethane-1,2-diol;bis(prop-1-ene)?
The IUPAC name of 6-aminohexylcarbamic acid;ethane-1,2-diol;bis(prop-1-ene) (CID 173415166) is 6-aminohexylcarbamic acid;ethane-1,2-diol;bis(prop-1-ene).
What is the SMILES notation for 6-aminohexylcarbamic acid;ethane-1,2-diol;bis(prop-1-ene)?
The canonical SMILES for 6-aminohexylcarbamic acid;ethane-1,2-diol;bis(prop-1-ene) is C=CC.C=CC.NCCCCCCNC(=O)O.OCCO.
What is the InChIKey of 6-aminohexylcarbamic acid;ethane-1,2-diol;bis(prop-1-ene)?
The InChIKey is ZWMMNSQJYQJUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2.2C3H6.C2H6O2/c8-5-3-1-2-4-6-9-7(10)11;2*1-3-2;3-1-2-4/h9H,1-6,8H2,(H,10,11);2*3H,1H2,2H3;3-4H,1-2H2.
What are the key properties of 6-aminohexylcarbamic acid;ethane-1,2-diol;bis(prop-1-ene)?
6-aminohexylcarbamic acid;ethane-1,2-diol;bis(prop-1-ene) has a molecular weight of 306.45 g/mol, XLogP of 2.13, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminohexylcarbamic acid;ethane-1,2-diol;bis(prop-1-ene) is sourced from PubChem (CID 173415166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).