pentan-1-amine;1,3-xylene

C13H23N — CID 174917412

IUPACpentan-1-amine;1,3-xylene
SMILESCCCCCN.Cc1cccc(C)c1
InChIInChI=1S/C8H10.C5H13N/c1-7-4-3-5-8(2)6-7;1-2-3-4-5-6/h3-6H,1-2H3;2-6H2,1H3
InChIKeyOXOPNWQKXODTHG-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.44
Rot. Bonds3

About pentan-1-amine;1,3-xylene

pentan-1-amine;1,3-xylene (PubChem CID 174917412) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is pentan-1-amine;1,3-xylene.

Molecular Properties

Compound Namepentan-1-amine;1,3-xylene
PubChem CID174917412
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Namepentan-1-amine;1,3-xylene
SMILESCCCCCN.Cc1cccc(C)c1
InChIInChI=1S/C8H10.C5H13N/c1-7-4-3-5-8(2)6-7;1-2-3-4-5-6/h3-6H,1-2H3;2-6H2,1H3
InChIKeyOXOPNWQKXODTHG-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;pentane;1,3-xylene
CID 142052962
butan-1-amine;toluene;hydrate
CID 174894398
N'-butyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 43136076
ethane;4-(3-methylphenyl)butan-1-amine
CID 142116258
1-phosphorosopentane;1,3-xylene
CID 174843053
ethane;propane;1,3-xylene
CID 144528046
benzene;octadecan-1-amine
CID 175562752
3-(3-methylphenyl)propan-1-amine
CID 12666388
butane;methane;1,3-xylene;1,4-xylene
CID 159094623
benzene-1,2-diamine;decan-1-amine
CID 174921659
(1R)-1-(3-methylphenyl)pentane-1,5-diamine
CID 171209871
ethane;1-methyl-3-pentylbenzene
CID 143267779

Frequently Asked Questions

What is the IUPAC name of pentan-1-amine;1,3-xylene?
The IUPAC name of pentan-1-amine;1,3-xylene (CID 174917412) is pentan-1-amine;1,3-xylene.
What is the SMILES notation for pentan-1-amine;1,3-xylene?
The canonical SMILES for pentan-1-amine;1,3-xylene is CCCCCN.Cc1cccc(C)c1.
What is the InChIKey of pentan-1-amine;1,3-xylene?
The InChIKey is OXOPNWQKXODTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C5H13N/c1-7-4-3-5-8(2)6-7;1-2-3-4-5-6/h3-6H,1-2H3;2-6H2,1H3.
What are the key properties of pentan-1-amine;1,3-xylene?
pentan-1-amine;1,3-xylene has a molecular weight of 193.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-1-amine;1,3-xylene is sourced from PubChem (CID 174917412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).