CID 59694519

C6H13N — CID 59694519

IUPAC—
SMILES[CH]C(C)NCCC
InChIInChI=1S/C6H13N/c1-4-5-7-6(2)3/h2,6-7H,4-5H2,1,3H3
InChIKeyQGAXIKTZZQTSEO-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.09
Rot. Bonds3

About CID 59694519

CID 59694519 (PubChem CID 59694519) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol.

Molecular Properties

Compound NameCID 59694519
PubChem CID59694519
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name—
SMILES[CH]C(C)NCCC
InChIInChI=1S/C6H13N/c1-4-5-7-6(2)3/h2,6-7H,4-5H2,1,3H3
InChIKeyQGAXIKTZZQTSEO-UHFFFAOYSA-N
XLogP1.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(propylamino)ethanethiol
CID 23019004
methanamine;N-propan-2-ylpropan-1-amine
CID 156646096
1-N'-propylethane-1,1-diamine;hydrochloride
CID 140981166
ethane;1-N-ethyl-1-N'-propylethane-1,1-diamine
CID 143131387
1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine
CID 154626432
N-(1-ethoxyethyl)propan-1-amine
CID 23317827
(2H)iodane;N-propylbutan-2-amine
CID 160782338
1-N',1-N'-dimethyl-1-N-propylpropane-1,1-diamine
CID 87287552
(2S,3R)-3-methyl-N-propylhexan-2-amine
CID 170123604
1-N,1-N'-dipropylbutane-1,1-diamine
CID 154626428
3-methyl-N-propylbut-3-en-2-amine
CID 79177488
1-N-ethyl-2-N-propylpropane-1,2-diamine
CID 62569562

Frequently Asked Questions

What is the IUPAC name of CID 59694519?
The IUPAC name of CID 59694519 (CID 59694519) is not available.
What is the SMILES notation for CID 59694519?
The canonical SMILES for CID 59694519 is [CH]C(C)NCCC.
What is the InChIKey of CID 59694519?
The InChIKey is QGAXIKTZZQTSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N/c1-4-5-7-6(2)3/h2,6-7H,4-5H2,1,3H3.
What are the key properties of CID 59694519?
CID 59694519 has a molecular weight of 99.18 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59694519 is sourced from PubChem (CID 59694519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).