N-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine

C14H23N — CID 71201517

IUPACN-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine
SMILESCCCCCN(C)Cc1cccc(C)c1
InChIInChI=1S/C14H23N/c1-4-5-6-10-15(3)12-14-9-7-8-13(2)11-14/h7-9,11H,4-6,10,12H2,1-3H3
InChIKeyJDDHKEUWMQKIRR-UHFFFAOYSA-N
MW205.35 g/mol
LogP3.62
Rot. Bonds6

About N-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine

N-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine (PubChem CID 71201517) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is N-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine
PubChem CID71201517
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC NameN-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine
SMILESCCCCCN(C)Cc1cccc(C)c1
InChIInChI=1S/C14H23N/c1-4-5-6-10-15(3)12-14-9-7-8-13(2)11-14/h7-9,11H,4-6,10,12H2,1-3H3
InChIKeyJDDHKEUWMQKIRR-UHFFFAOYSA-N
XLogP3.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butan-1-ol;N-methyl-N-[(3-methylphenyl)methyl]propan-1-amine
CID 143932693
N'-methyl-N'-[(3-methylphenyl)methyl]hexane-1,6-diamine
CID 61411443
N-decyl-N-[(3-methylphenyl)methyl]decan-1-amine
CID 6426056
(E)-3-[3-[[methyl(pentyl)amino]methyl]phenyl]prop-2-enoic acid
CID 109375462
3-[[methyl(pentyl)amino]methyl]benzonitrile
CID 43294880
4-[methyl-[(3-methylphenyl)methyl]amino]butan-2-one
CID 62031141
1-[methyl-[(3-methylphenyl)methyl]amino]pentan-2-one
CID 62042480
N-(2-chloroethyl)-N-[(3-methylphenyl)methyl]butan-1-amine
CID 63389178
N-methyl-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pentan-1-amine
CID 62422254
N'-methyl-N'-[(3-methylphenyl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 61411868
3-[[methyl(pentyl)amino]methyl]benzenecarboximidamide
CID 43294977
ethane;1-methyl-3-pentylbenzene
CID 143267779

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine?
The IUPAC name of N-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine (CID 71201517) is N-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine.
What is the SMILES notation for N-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine?
The canonical SMILES for N-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine is CCCCCN(C)Cc1cccc(C)c1.
What is the InChIKey of N-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine?
The InChIKey is JDDHKEUWMQKIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-4-5-6-10-15(3)12-14-9-7-8-13(2)11-14/h7-9,11H,4-6,10,12H2,1-3H3.
What are the key properties of N-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine?
N-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine has a molecular weight of 205.35 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine is sourced from PubChem (CID 71201517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).