4-[1-(methylamino)pentan-3-yl]aniline

C12H20N2 — CID 142395580

IUPAC4-[1-(methylamino)pentan-3-yl]aniline
SMILESCCC(CCNC)c1ccc(N)cc1
InChIInChI=1S/C12H20N2/c1-3-10(8-9-14-2)11-4-6-12(13)7-5-11/h4-7,10,14H,3,8-9,13H2,1-2H3
InChIKeyNCKNFLVWMBISDH-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.37
Rot. Bonds5

About 4-[1-(methylamino)pentan-3-yl]aniline

4-[1-(methylamino)pentan-3-yl]aniline (PubChem CID 142395580) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4-[1-(methylamino)pentan-3-yl]aniline.

Molecular Properties

Compound Name4-[1-(methylamino)pentan-3-yl]aniline
PubChem CID142395580
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4-[1-(methylamino)pentan-3-yl]aniline
SMILESCCC(CCNC)c1ccc(N)cc1
InChIInChI=1S/C12H20N2/c1-3-10(8-9-14-2)11-4-6-12(13)7-5-11/h4-7,10,14H,3,8-9,13H2,1-2H3
InChIKeyNCKNFLVWMBISDH-UHFFFAOYSA-N
XLogP2.37
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-methyl-3-phenylpentan-1-amine
CID 165125181
4-(4-aminophenyl)hexanal
CID 54258952
N-methyl-3-[3-(methylaminomethyl)phenyl]pentan-1-amine
CID 144547155
3-(4-butan-2-ylphenyl)-N-methylbutan-1-amine
CID 112507884
4-[4,6,8-tris(4-aminophenyl)decan-2-yl]aniline
CID 134463641
4-[(3R,4R)-4-(4-aminophenyl)hexan-3-yl]aniline
CID 6990315
3-(4-chlorophenyl)-N,5-dimethylhexan-1-amine
CID 112508511
4-[1-[4-[2-[4-[1-(4-aminophenyl)pentyl]phenyl]butyl]phenyl]pentyl]aniline
CID 18976753
4-[[3-(4-fluorophenyl)hexylamino]methyl]aniline
CID 91059511
1-heptan-3-yl-4-propan-2-ylbenzene
CID 58413560
N-methyl-2-(4-methylphenyl)butan-1-amine
CID 64984808
1-[4-(1-methoxypentan-3-yl)phenyl]-N-methylmethanamine
CID 142365268

Frequently Asked Questions

What is the IUPAC name of 4-[1-(methylamino)pentan-3-yl]aniline?
The IUPAC name of 4-[1-(methylamino)pentan-3-yl]aniline (CID 142395580) is 4-[1-(methylamino)pentan-3-yl]aniline.
What is the SMILES notation for 4-[1-(methylamino)pentan-3-yl]aniline?
The canonical SMILES for 4-[1-(methylamino)pentan-3-yl]aniline is CCC(CCNC)c1ccc(N)cc1.
What is the InChIKey of 4-[1-(methylamino)pentan-3-yl]aniline?
The InChIKey is NCKNFLVWMBISDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-10(8-9-14-2)11-4-6-12(13)7-5-11/h4-7,10,14H,3,8-9,13H2,1-2H3.
What are the key properties of 4-[1-(methylamino)pentan-3-yl]aniline?
4-[1-(methylamino)pentan-3-yl]aniline has a molecular weight of 192.31 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(methylamino)pentan-3-yl]aniline is sourced from PubChem (CID 142395580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).