N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine

C18H31N3 — CID 105347432

IUPACN-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)Cc2ccc(C(C)CN)cc2)CC1
InChIInChI=1S/C18H31N3/c1-4-21-11-9-18(10-12-21)20(3)14-16-5-7-17(8-6-16)15(2)13-19/h5-8,15,18H,4,9-14,19H2,1-3H3
InChIKeyVMUSPRNVENEKOA-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.66
Rot. Bonds6

About N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine

N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine (PubChem CID 105347432) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine
PubChem CID105347432
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)Cc2ccc(C(C)CN)cc2)CC1
InChIInChI=1S/C18H31N3/c1-4-21-11-9-18(10-12-21)20(3)14-16-5-7-17(8-6-16)15(2)13-19/h5-8,15,18H,4,9-14,19H2,1-3H3
InChIKeyVMUSPRNVENEKOA-UHFFFAOYSA-N
XLogP2.66
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-methylcyclohexanamine
CID 105346608
2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]propan-1-amine
CID 105347161
5-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]pyridin-2-amine
CID 55046277
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-butylcyclopropanamine
CID 105347297
2-[4-[(4-propylpiperidin-1-yl)methyl]phenyl]propan-1-amine
CID 105346383
N-[4-(2-aminoethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 63785374
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 63887860
2-[4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]propan-1-amine
CID 105347939
N-[4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenyl]methanesulfonamide
CID 167888807
ethane;N'-(1-ethylpiperidin-4-yl)-N'-methylmethanediamine
CID 142615692
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-4-ethyl-N-methylaniline
CID 105347417
N'-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 107520485

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine?
The IUPAC name of N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine (CID 105347432) is N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine?
The canonical SMILES for N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine is CCN1CCC(N(C)Cc2ccc(C(C)CN)cc2)CC1.
What is the InChIKey of N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine?
The InChIKey is VMUSPRNVENEKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-4-21-11-9-18(10-12-21)20(3)14-16-5-7-17(8-6-16)15(2)13-19/h5-8,15,18H,4,9-14,19H2,1-3H3.
What are the key properties of N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine?
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine has a molecular weight of 289.47 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 105347432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).