CID 162056062

C17H48N4O2 — CID 162056062

IUPAC—
SMILESC.CNC(CCCCN)C(C)=O.CNC(CCCCN)C(C)=O.[2H][2H].[2H][2H].[H][2H].[H][2H]
InChIInChI=1S/2C8H18N2O.CH4.4H2/c2*1-7(11)8(10-2)5-3-4-6-9;;;;;/h2*8,10H,3-6,9H2,1-2H3;1H4;4*1H/i;;;2*1+1D;2*1+1
InChIKeyYZEQPLGJTKNHMI-DDHRMVSLSA-N
MW346.63 g/mol
LogP2.20
Rot. Bonds12

About CID 162056062

CID 162056062 (PubChem CID 162056062) has the molecular formula C17H48N4O2 and a molecular weight of 346.63 g/mol.

Molecular Properties

Compound NameCID 162056062
PubChem CID162056062
Molecular FormulaC17H48N4O2
Molecular Weight346.63 g/mol
Exact Mass346.42
IUPAC Name—
SMILESC.CNC(CCCCN)C(C)=O.CNC(CCCCN)C(C)=O.[2H][2H].[2H][2H].[H][2H].[H][2H]
InChIInChI=1S/2C8H18N2O.CH4.4H2/c2*1-7(11)8(10-2)5-3-4-6-9;;;;;/h2*8,10H,3-6,9H2,1-2H3;1H4;4*1H/i;;;2*1+1D;2*1+1
InChIKeyYZEQPLGJTKNHMI-DDHRMVSLSA-N
XLogP2.20
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.63
LogP ≤ 52.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-amino-3-(methylamino)heptan-2-one;ethane
CID 153401274
CID 171042672
CID 171042672
(3S)-6-amino-3-(methylamino)hexan-2-one
CID 59098893
5-amino-3-(methylamino)pentan-2-one;methane
CID 157156675
(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride
CID 22872767
7-amino-3-(tert-butylamino)heptan-2-one
CID 89488673
3-(methylamino)nonan-2-one
CID 21024660
(3R)-3,7-bis(methylamino)heptan-2-one
CID 91227284
(3S)-7-amino-3-methylheptan-2-one;ethane
CID 145493099
6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide
CID 89335377
(2S)-2-acetamido-6-aminohexanamide
CID 7021885
N-[5-(methylamino)-6-oxoheptyl]acetamide
CID 72531046

Frequently Asked Questions

What is the IUPAC name of CID 162056062?
The IUPAC name of CID 162056062 (CID 162056062) is not available.
What is the SMILES notation for CID 162056062?
The canonical SMILES for CID 162056062 is C.CNC(CCCCN)C(C)=O.CNC(CCCCN)C(C)=O.[2H][2H].[2H][2H].[H][2H].[H][2H].
What is the InChIKey of CID 162056062?
The InChIKey is YZEQPLGJTKNHMI-DDHRMVSLSA-N. The full InChI is InChI=1S/2C8H18N2O.CH4.4H2/c2*1-7(11)8(10-2)5-3-4-6-9;;;;;/h2*8,10H,3-6,9H2,1-2H3;1H4;4*1H/i;;;2*1+1D;2*1+1.
What are the key properties of CID 162056062?
CID 162056062 has a molecular weight of 346.63 g/mol, XLogP of 2.20, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162056062 is sourced from PubChem (CID 162056062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).