butan-1-amine;1-methylnaphthalene

C15H21N — CID 143588906

IUPACbutan-1-amine;1-methylnaphthalene
SMILESCCCCN.Cc1cccc2ccccc12
InChIInChI=1S/C11H10.C4H11N/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-2-3-4-5/h2-8H,1H3;2-5H2,1H3
InChIKeyNPFJYAMPVZZPHO-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.89
Rot. Bonds2

About butan-1-amine;1-methylnaphthalene

butan-1-amine;1-methylnaphthalene (PubChem CID 143588906) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is butan-1-amine;1-methylnaphthalene.

Molecular Properties

Compound Namebutan-1-amine;1-methylnaphthalene
PubChem CID143588906
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Namebutan-1-amine;1-methylnaphthalene
SMILESCCCCN.Cc1cccc2ccccc12
InChIInChI=1S/C11H10.C4H11N/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-2-3-4-5/h2-8H,1H3;2-5H2,1H3
InChIKeyNPFJYAMPVZZPHO-UHFFFAOYSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

acetylene;ethane;1-methylnaphthalene
CID 167495690
carbanide;ethane;bis(1-methylnaphthalene);bis(yttrium)
CID 158669660
ethane;1-methylnaphthalene;toluene
CID 91013579
butan-1-amine;toluene;hydrate
CID 174894398
carbonic acid;1-methylnaphthalene
CID 66808059
ethane;methane;bis(1-methylnaphthalene);propane;toluene
CID 160954543
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
1-methylnaphthalene;stilbene
CID 173370087
1-butylnaphthalene;ethane
CID 142087052
(1-butylnaphthalen-2-yl)methanamine;hydrochloride
CID 118513377
heptane;phenanthrene
CID 157482146
9,10-dibutylanthracene
CID 605822

Frequently Asked Questions

What is the IUPAC name of butan-1-amine;1-methylnaphthalene?
The IUPAC name of butan-1-amine;1-methylnaphthalene (CID 143588906) is butan-1-amine;1-methylnaphthalene.
What is the SMILES notation for butan-1-amine;1-methylnaphthalene?
The canonical SMILES for butan-1-amine;1-methylnaphthalene is CCCCN.Cc1cccc2ccccc12.
What is the InChIKey of butan-1-amine;1-methylnaphthalene?
The InChIKey is NPFJYAMPVZZPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10.C4H11N/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-2-3-4-5/h2-8H,1H3;2-5H2,1H3.
What are the key properties of butan-1-amine;1-methylnaphthalene?
butan-1-amine;1-methylnaphthalene has a molecular weight of 215.34 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-amine;1-methylnaphthalene is sourced from PubChem (CID 143588906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).