N,1-dimethyl-N-[[3-(propylaminomethyl)phenyl]methyl]piperidin-4-amine

C18H31N3 — CID 62423017

IUPACN,1-dimethyl-N-[[3-(propylaminomethyl)phenyl]methyl]piperidin-4-amine
SMILESCCCNCc1cccc(CN(C)C2CCN(C)CC2)c1
InChIInChI=1S/C18H31N3/c1-4-10-19-14-16-6-5-7-17(13-16)15-21(3)18-8-11-20(2)12-9-18/h5-7,13,18-19H,4,8-12,14-15H2,1-3H3
InChIKeyAMZNYCINYRDURP-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.71
Rot. Bonds7

About N,1-dimethyl-N-[[3-(propylaminomethyl)phenyl]methyl]piperidin-4-amine

N,1-dimethyl-N-[[3-(propylaminomethyl)phenyl]methyl]piperidin-4-amine (PubChem CID 62423017) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N,1-dimethyl-N-[[3-(propylaminomethyl)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[[3-(propylaminomethyl)phenyl]methyl]piperidin-4-amine
PubChem CID62423017
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN,1-dimethyl-N-[[3-(propylaminomethyl)phenyl]methyl]piperidin-4-amine
SMILESCCCNCc1cccc(CN(C)C2CCN(C)CC2)c1
InChIInChI=1S/C18H31N3/c1-4-10-19-14-16-6-5-7-17(13-16)15-21(3)18-8-11-20(2)12-9-18/h5-7,13,18-19H,4,8-12,14-15H2,1-3H3
InChIKeyAMZNYCINYRDURP-UHFFFAOYSA-N
XLogP2.71
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62419099
N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]cyclopropanamine
CID 55129561
N-[[3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62419784
N-[[3-[(dipropylamino)methyl]phenyl]methyl]propan-1-amine
CID 55070121
N-[[3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 81067727
3-methoxy-N-methyl-N-[[3-(propylaminomethyl)phenyl]methyl]propan-1-amine
CID 63007765
N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]cyclohexan-1-amine
CID 62411782
N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62575359
N,4-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclohexan-1-amine
CID 62412493
N-[(3-bromophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615071
N-methyl-N-(1-methylpiperidin-4-yl)-3-(propylaminomethyl)pyridin-2-amine
CID 62279254
N-[[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methyl]propan-1-amine
CID 66370234

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[[3-(propylaminomethyl)phenyl]methyl]piperidin-4-amine?
The IUPAC name of N,1-dimethyl-N-[[3-(propylaminomethyl)phenyl]methyl]piperidin-4-amine (CID 62423017) is N,1-dimethyl-N-[[3-(propylaminomethyl)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-[[3-(propylaminomethyl)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-[[3-(propylaminomethyl)phenyl]methyl]piperidin-4-amine is CCCNCc1cccc(CN(C)C2CCN(C)CC2)c1.
What is the InChIKey of N,1-dimethyl-N-[[3-(propylaminomethyl)phenyl]methyl]piperidin-4-amine?
The InChIKey is AMZNYCINYRDURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-4-10-19-14-16-6-5-7-17(13-16)15-21(3)18-8-11-20(2)12-9-18/h5-7,13,18-19H,4,8-12,14-15H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[[3-(propylaminomethyl)phenyl]methyl]piperidin-4-amine?
N,1-dimethyl-N-[[3-(propylaminomethyl)phenyl]methyl]piperidin-4-amine has a molecular weight of 289.47 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[[3-(propylaminomethyl)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 62423017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).