N,N,2-trimethyl-5-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]aniline

C18H31N3 — CID 115378465

IUPACN,N,2-trimethyl-5-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]aniline
SMILESCc1ccc(N2CCC(CNCC(C)C)C2)cc1N(C)C
InChIInChI=1S/C18H31N3/c1-14(2)11-19-12-16-8-9-21(13-16)17-7-6-15(3)18(10-17)20(4)5/h6-7,10,14,16,19H,8-9,11-13H2,1-5H3
InChIKeyLWQFCCQXQJYDIL-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.13
Rot. Bonds6

About N,N,2-trimethyl-5-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]aniline

N,N,2-trimethyl-5-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]aniline (PubChem CID 115378465) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N,N,2-trimethyl-5-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]aniline.

Molecular Properties

Compound NameN,N,2-trimethyl-5-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]aniline
PubChem CID115378465
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN,N,2-trimethyl-5-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]aniline
SMILESCc1ccc(N2CCC(CNCC(C)C)C2)cc1N(C)C
InChIInChI=1S/C18H31N3/c1-14(2)11-19-12-16-8-9-21(13-16)17-7-6-15(3)18(10-17)20(4)5/h6-7,10,14,16,19H,8-9,11-13H2,1-5H3
InChIKeyLWQFCCQXQJYDIL-UHFFFAOYSA-N
XLogP3.13
TPSA18.51 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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-methoxy-3-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62512616
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62513713
N-[[1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62512550
N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]-3-methylbutanamide
CID 110640720
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-methylbutan-1-amine
CID 83467641
3-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]-1,1-diethylurea
CID 110414411
1-[3-methyl-4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-ol
CID 63059803
N-[[1-(5-bromo-2,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 102854005
N-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792830
4-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylaniline
CID 68975851
N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 110414375
2-methyl-N-[[1-(4-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine
CID 62593726

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-5-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]aniline?
The IUPAC name of N,N,2-trimethyl-5-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]aniline (CID 115378465) is N,N,2-trimethyl-5-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]aniline.
What is the SMILES notation for N,N,2-trimethyl-5-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]aniline?
The canonical SMILES for N,N,2-trimethyl-5-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]aniline is Cc1ccc(N2CCC(CNCC(C)C)C2)cc1N(C)C.
What is the InChIKey of N,N,2-trimethyl-5-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]aniline?
The InChIKey is LWQFCCQXQJYDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-14(2)11-19-12-16-8-9-21(13-16)17-7-6-15(3)18(10-17)20(4)5/h6-7,10,14,16,19H,8-9,11-13H2,1-5H3.
What are the key properties of N,N,2-trimethyl-5-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]aniline?
N,N,2-trimethyl-5-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]aniline has a molecular weight of 289.47 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-5-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]aniline is sourced from PubChem (CID 115378465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).