1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-propoxypropan-2-ol

C14H35N5O2 — CID 132934310

IUPAC1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-propoxypropan-2-ol
SMILESCCCOCC(O)CNCCNCCNCCNCCN
InChIInChI=1S/C14H35N5O2/c1-2-11-21-13-14(20)12-19-10-9-18-8-7-17-6-5-16-4-3-15/h14,16-20H,2-13,15H2,1H3
InChIKeyJTSMQJZABMZNTE-UHFFFAOYSA-N
MW305.47 g/mol
LogP-1.91
Rot. Bonds17

About 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-propoxypropan-2-ol

1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-propoxypropan-2-ol (PubChem CID 132934310) has the molecular formula C14H35N5O2 and a molecular weight of 305.47 g/mol. Its IUPAC name is 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-propoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-propoxypropan-2-ol
PubChem CID132934310
Molecular FormulaC14H35N5O2
Molecular Weight305.47 g/mol
Exact Mass305.28
IUPAC Name1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-propoxypropan-2-ol
SMILESCCCOCC(O)CNCCNCCNCCNCCN
InChIInChI=1S/C14H35N5O2/c1-2-11-21-13-14(20)12-19-10-9-18-8-7-17-6-5-16-4-3-15/h14,16-20H,2-13,15H2,1H3
InChIKeyJTSMQJZABMZNTE-UHFFFAOYSA-N
XLogP-1.91
TPSA103.60 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.47
LogP ≤ 5-1.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(2-aminoethylamino)-3-butoxypropan-2-ol
CID 92574092
1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 62141108
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
ethane;1-propoxy-3-(propylamino)propan-2-ol
CID 90907979
1-(2-aminoethylamino)-3-(7-methyloctoxy)propan-2-ol
CID 175928997
1-(2-aminoethylamino)-3-[4-(2-propoxyethoxy)phenoxy]propan-2-ol
CID 23349125
1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105
1-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-3-[2-[2-[3-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethylamino]-2-hydroxypropoxy]ethoxy]ethoxy]propan-2-ol
CID 20686698
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086
1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol
CID 60632874
1-(3-trimethoxysilylpropoxy)-3-[2-(3-trimethoxysilylpropylamino)ethylamino]propan-2-ol
CID 20741051
1-[2-(2-aminoethylamino)ethylamino]tetradecan-2-ol
CID 20527041

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-propoxypropan-2-ol?
The IUPAC name of 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-propoxypropan-2-ol (CID 132934310) is 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-propoxypropan-2-ol.
What is the SMILES notation for 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-propoxypropan-2-ol?
The canonical SMILES for 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-propoxypropan-2-ol is CCCOCC(O)CNCCNCCNCCNCCN.
What is the InChIKey of 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-propoxypropan-2-ol?
The InChIKey is JTSMQJZABMZNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H35N5O2/c1-2-11-21-13-14(20)12-19-10-9-18-8-7-17-6-5-16-4-3-15/h14,16-20H,2-13,15H2,1H3.
What are the key properties of 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-propoxypropan-2-ol?
1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-propoxypropan-2-ol has a molecular weight of 305.47 g/mol, XLogP of -1.91, 17 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-3-propoxypropan-2-ol is sourced from PubChem (CID 132934310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).