2-[[6-(propylamino)-2-pyridinyl]amino]ethyl carbamate

C11H18N4O2 — CID 83214804

IUPAC2-[[6-(propylamino)-2-pyridinyl]amino]ethyl carbamate
SMILESCCCNc1cccc(NCCOC(N)=O)n1
InChIInChI=1S/C11H18N4O2/c1-2-6-13-9-4-3-5-10(15-9)14-7-8-17-11(12)16/h3-5H,2,6-8H2,1H3,(H2,12,16)(H2,13,14,15)
InChIKeySEOLINRATWYHCU-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.41
Rot. Bonds7

About 2-[[6-(propylamino)-2-pyridinyl]amino]ethyl carbamate

2-[[6-(propylamino)-2-pyridinyl]amino]ethyl carbamate (PubChem CID 83214804) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[[6-(propylamino)-2-pyridinyl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[6-(propylamino)-2-pyridinyl]amino]ethyl carbamate
PubChem CID83214804
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-[[6-(propylamino)-2-pyridinyl]amino]ethyl carbamate
SMILESCCCNc1cccc(NCCOC(N)=O)n1
InChIInChI=1S/C11H18N4O2/c1-2-6-13-9-4-3-5-10(15-9)14-7-8-17-11(12)16/h3-5H,2,6-8H2,1H3,(H2,12,16)(H2,13,14,15)
InChIKeySEOLINRATWYHCU-UHFFFAOYSA-N
XLogP1.41
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[6-(propylamino)-2-pyridinyl]amino]ethoxy]acetamide
CID 106241754
2-[(6-carbamothioyl-2-pyridinyl)amino]ethyl carbamate
CID 83205321
methyl 2-[[6-(propylamino)-2-pyridinyl]amino]propanoate
CID 80801764
methyl 2-[[6-(propylamino)-2-pyridinyl]amino]acetate
CID 80778103
2-[(5,6-diamino-2-pyridinyl)amino]ethyl carbamate
CID 83201893
N-propyl-3-[[6-(propylamino)-2-pyridinyl]amino]propanamide
CID 80819033
2-[(2-amino-2-oxoethyl)-[[6-(propylamino)-2-pyridinyl]methyl]amino]acetamide
CID 79230668
2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl carbamate
CID 83215694
2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl carbamate
CID 83215295
N-propan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 62240109
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl carbamate
CID 83203473
6-N-pentan-3-yl-2-N-propylpyridine-2,6-diamine
CID 80770551

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(propylamino)-2-pyridinyl]amino]ethyl carbamate?
The IUPAC name of 2-[[6-(propylamino)-2-pyridinyl]amino]ethyl carbamate (CID 83214804) is 2-[[6-(propylamino)-2-pyridinyl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[6-(propylamino)-2-pyridinyl]amino]ethyl carbamate?
The canonical SMILES for 2-[[6-(propylamino)-2-pyridinyl]amino]ethyl carbamate is CCCNc1cccc(NCCOC(N)=O)n1.
What is the InChIKey of 2-[[6-(propylamino)-2-pyridinyl]amino]ethyl carbamate?
The InChIKey is SEOLINRATWYHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-2-6-13-9-4-3-5-10(15-9)14-7-8-17-11(12)16/h3-5H,2,6-8H2,1H3,(H2,12,16)(H2,13,14,15).
What are the key properties of 2-[[6-(propylamino)-2-pyridinyl]amino]ethyl carbamate?
2-[[6-(propylamino)-2-pyridinyl]amino]ethyl carbamate has a molecular weight of 238.29 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(propylamino)-2-pyridinyl]amino]ethyl carbamate is sourced from PubChem (CID 83214804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).