amino-[2-(3-ethylpyrrolidin-1-yl)ethylamino]methanol

C9H21N3O — CID 142001257

IUPACamino-[2-(3-ethylpyrrolidin-1-yl)ethylamino]methanol
SMILESCCC1CCN(CCNC(N)O)C1
InChIInChI=1S/C9H21N3O/c1-2-8-3-5-12(7-8)6-4-11-9(10)13/h8-9,11,13H,2-7,10H2,1H3
InChIKeyKTZQHIBIZACADI-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.46
Rot. Bonds5

About amino-[2-(3-ethylpyrrolidin-1-yl)ethylamino]methanol

amino-[2-(3-ethylpyrrolidin-1-yl)ethylamino]methanol (PubChem CID 142001257) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is amino-[2-(3-ethylpyrrolidin-1-yl)ethylamino]methanol.

Molecular Properties

Compound Nameamino-[2-(3-ethylpyrrolidin-1-yl)ethylamino]methanol
PubChem CID142001257
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Nameamino-[2-(3-ethylpyrrolidin-1-yl)ethylamino]methanol
SMILESCCC1CCN(CCNC(N)O)C1
InChIInChI=1S/C9H21N3O/c1-2-8-3-5-12(7-8)6-4-11-9(10)13/h8-9,11,13H,2-7,10H2,1H3
InChIKeyKTZQHIBIZACADI-UHFFFAOYSA-N
XLogP-0.46
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(3-ethylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine
CID 143093891
1-(3-ethylpyrrolidin-1-yl)butan-2-ol
CID 115688740
3-(3-ethylpyrrolidin-1-yl)propan-1-ol
CID 67281983
N-[2-(3-ethylpiperidin-1-yl)ethyl]-5-methylhexan-2-amine
CID 62559487
(3-ethylpyrrolidin-1-yl)methanamine
CID 57317446
[1-[2-(pentan-3-ylamino)ethyl]piperidin-4-yl]methanol
CID 115718462
6-(3-ethylpyrrolidin-1-yl)hexan-1-ol
CID 103748114
N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]pentan-2-amine
CID 64582200
methyl 3-(3-ethylpyrrolidin-1-yl)propanoate
CID 115688532
6-(4-ethylpiperidin-1-yl)hexan-3-amine
CID 106799490
1-amino-4-(4-ethylpiperidin-1-yl)butan-2-ol
CID 64818908
4-(3-ethylpiperidin-1-yl)butan-2-amine
CID 43584476

Frequently Asked Questions

What is the IUPAC name of amino-[2-(3-ethylpyrrolidin-1-yl)ethylamino]methanol?
The IUPAC name of amino-[2-(3-ethylpyrrolidin-1-yl)ethylamino]methanol (CID 142001257) is amino-[2-(3-ethylpyrrolidin-1-yl)ethylamino]methanol.
What is the SMILES notation for amino-[2-(3-ethylpyrrolidin-1-yl)ethylamino]methanol?
The canonical SMILES for amino-[2-(3-ethylpyrrolidin-1-yl)ethylamino]methanol is CCC1CCN(CCNC(N)O)C1.
What is the InChIKey of amino-[2-(3-ethylpyrrolidin-1-yl)ethylamino]methanol?
The InChIKey is KTZQHIBIZACADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-2-8-3-5-12(7-8)6-4-11-9(10)13/h8-9,11,13H,2-7,10H2,1H3.
What are the key properties of amino-[2-(3-ethylpyrrolidin-1-yl)ethylamino]methanol?
amino-[2-(3-ethylpyrrolidin-1-yl)ethylamino]methanol has a molecular weight of 187.29 g/mol, XLogP of -0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[2-(3-ethylpyrrolidin-1-yl)ethylamino]methanol is sourced from PubChem (CID 142001257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).