3-[(dimethylamino)methyl]-N-pentylaniline

C14H24N2 — CID 43688686

IUPAC3-[(dimethylamino)methyl]-N-pentylaniline
SMILESCCCCCNc1cccc(CN(C)C)c1
InChIInChI=1S/C14H24N2/c1-4-5-6-10-15-14-9-7-8-13(11-14)12-16(2)3/h7-9,11,15H,4-6,10,12H2,1-3H3
InChIKeyYUBPWHNAJOGCSB-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.35
Rot. Bonds7

About 3-[(dimethylamino)methyl]-N-pentylaniline

3-[(dimethylamino)methyl]-N-pentylaniline (PubChem CID 43688686) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-pentylaniline.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-pentylaniline
PubChem CID43688686
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name3-[(dimethylamino)methyl]-N-pentylaniline
SMILESCCCCCNc1cccc(CN(C)C)c1
InChIInChI=1S/C14H24N2/c1-4-5-6-10-15-14-9-7-8-13(11-14)12-16(2)3/h7-9,11,15H,4-6,10,12H2,1-3H3
InChIKeyYUBPWHNAJOGCSB-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,3-N-dipentylbenzene-1,3-diamine
CID 19708209
1-N-methyl-3-N-pentylbenzene-1,3-diamine
CID 117027123
3-bromo-N-octylaniline
CID 43129310
3-N-octadecylbenzene-1,3-diamine
CID 154090035
N-(cyclopropylmethyl)-3-[(dimethylamino)methyl]aniline
CID 43688859
N-heptyl-3-(pyrazol-1-ylmethyl)aniline
CID 43738861
3-[2-(dimethylamino)ethoxy]-N-heptylaniline
CID 43720868
3-(bromomethyl)-N-propylaniline
CID 166487447
3-[(dimethylamino)methyl]-N-phenylaniline
CID 173320558
N-hexyl-3-methoxyaniline
CID 15500485
N-[(4-aminophenyl)methyl]-3-[(dimethylamino)methyl]aniline
CID 83962509
3-(heptylamino)-N,N-dimethylbenzenesulfonamide
CID 43715567

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-pentylaniline?
The IUPAC name of 3-[(dimethylamino)methyl]-N-pentylaniline (CID 43688686) is 3-[(dimethylamino)methyl]-N-pentylaniline.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-pentylaniline?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-pentylaniline is CCCCCNc1cccc(CN(C)C)c1.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-pentylaniline?
The InChIKey is YUBPWHNAJOGCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-5-6-10-15-14-9-7-8-13(11-14)12-16(2)3/h7-9,11,15H,4-6,10,12H2,1-3H3.
What are the key properties of 3-[(dimethylamino)methyl]-N-pentylaniline?
3-[(dimethylamino)methyl]-N-pentylaniline has a molecular weight of 220.36 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-pentylaniline is sourced from PubChem (CID 43688686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).