CID 59042822

C9H21N2 — CID 59042822

IUPAC—
SMILESCCCNC(C)C[CH]CNC
InChIInChI=1S/C9H21N2/c1-4-7-11-9(2)6-5-8-10-3/h5,9-11H,4,6-8H2,1-3H3
InChIKeyIUAYGBQICCHYJG-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.19
Rot. Bonds7

About CID 59042822

CID 59042822 (PubChem CID 59042822) has the molecular formula C9H21N2 and a molecular weight of 157.28 g/mol.

Molecular Properties

Compound NameCID 59042822
PubChem CID59042822
Molecular FormulaC9H21N2
Molecular Weight157.28 g/mol
Exact Mass157.17
IUPAC Name—
SMILESCCCNC(C)C[CH]CNC
InChIInChI=1S/C9H21N2/c1-4-7-11-9(2)6-5-8-10-3/h5,9-11H,4,6-8H2,1-3H3
InChIKeyIUAYGBQICCHYJG-UHFFFAOYSA-N
XLogP1.19
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propylnonan-2-amine
CID 43129664
4,5,5-trimethyl-N-propylhexan-2-amine
CID 64718550
(2H)iodane;N-propylbutan-2-amine
CID 160782338
1-N-butan-2-yl-2-N-propylpropane-1,2-diamine
CID 62568833
1-N-ethyl-2-N-propylpropane-1,2-diamine
CID 62569562
1-[2-(propylamino)propoxy]propan-2-amine
CID 59834050
4,4,5-trimethyl-N-propylheptan-2-amine
CID 79446561
4,5-dimethyl-N-propylheptan-2-amine
CID 79443938
1-N,1-N-bis(3-methylbutyl)-5-N-propylhexane-1,5-diamine
CID 107869580
N-pent-4-en-2-ylpentan-1-amine;hydrochloride
CID 155386341
4,6-dimethyl-N-propyloctan-2-amine
CID 64720545
CID 59694519
CID 59694519

Frequently Asked Questions

What is the IUPAC name of CID 59042822?
The IUPAC name of CID 59042822 (CID 59042822) is not available.
What is the SMILES notation for CID 59042822?
The canonical SMILES for CID 59042822 is CCCNC(C)C[CH]CNC.
What is the InChIKey of CID 59042822?
The InChIKey is IUAYGBQICCHYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N2/c1-4-7-11-9(2)6-5-8-10-3/h5,9-11H,4,6-8H2,1-3H3.
What are the key properties of CID 59042822?
CID 59042822 has a molecular weight of 157.28 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59042822 is sourced from PubChem (CID 59042822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).