N-[[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]aniline

C16H26N2 — CID 58780771

IUPACN-[[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]aniline
SMILESCC(C)(C)CN1CCCC1CNc1ccccc1
InChIInChI=1S/C16H26N2/c1-16(2,3)13-18-11-7-10-15(18)12-17-14-8-5-4-6-9-14/h4-6,8-9,15,17H,7,10-13H2,1-3H3
InChIKeyRNHFTYKBVALAIH-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.61
Rot. Bonds4

About N-[[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]aniline

N-[[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]aniline (PubChem CID 58780771) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]aniline.

Molecular Properties

Compound NameN-[[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]aniline
PubChem CID58780771
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]aniline
SMILESCC(C)(C)CN1CCCC1CNc1ccccc1
InChIInChI=1S/C16H26N2/c1-16(2,3)13-18-11-7-10-15(18)12-17-14-8-5-4-6-9-14/h4-6,8-9,15,17H,7,10-13H2,1-3H3
InChIKeyRNHFTYKBVALAIH-UHFFFAOYSA-N
XLogP3.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylpropan-2-ol
CID 113285351
N-[(1-benzylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine
CID 62580013
1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]-N-methylmethanamine
CID 116789649
1,5-bis(2,2-dimethylpropyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine
CID 170264259
2-phenyl-1-[2-(propylaminomethyl)piperidin-1-yl]propan-2-ol
CID 63848691
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-4-amine
CID 102824002
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine
CID 94499350
N-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]aniline
CID 146228787
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-1-N-phenylpropane-1,2-diamine
CID 79312886
N-[(1-benzylpyrrolidin-2-yl)methyl]-3-methylsulfonyl-4-nitroaniline
CID 133401899
[(2S)-2-(anilinomethyl)pyrrolidin-1-yl]-[(1R,4S)-2-oxa-3-azabicyclo[2.2.2]oct-5-en-3-yl]methanone
CID 638469
4-(difluoromethylsulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]aniline
CID 43455316

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]aniline?
The IUPAC name of N-[[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]aniline (CID 58780771) is N-[[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]aniline.
What is the SMILES notation for N-[[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]aniline?
The canonical SMILES for N-[[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]aniline is CC(C)(C)CN1CCCC1CNc1ccccc1.
What is the InChIKey of N-[[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]aniline?
The InChIKey is RNHFTYKBVALAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-16(2,3)13-18-11-7-10-15(18)12-17-14-8-5-4-6-9-14/h4-6,8-9,15,17H,7,10-13H2,1-3H3.
What are the key properties of N-[[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]aniline?
N-[[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]aniline has a molecular weight of 246.40 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]aniline is sourced from PubChem (CID 58780771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).