(2S)-N,1-ditert-butyl-N,2-dimethylpyrrolidin-3-amine

C14H30N2 — CID 170939669

IUPAC(2S)-N,1-ditert-butyl-N,2-dimethylpyrrolidin-3-amine
SMILESC[C@H]1C(N(C)C(C)(C)C)CCN1C(C)(C)C
InChIInChI=1S/C14H30N2/c1-11-12(15(8)13(2,3)4)9-10-16(11)14(5,6)7/h11-12H,9-10H2,1-8H3/t11-,12?/m0/s1
InChIKeyUEQTUNBQWZDCAN-PXYINDEMSA-N
MW226.41 g/mol
LogP2.98
Rot. Bonds1

About (2S)-N,1-ditert-butyl-N,2-dimethylpyrrolidin-3-amine

(2S)-N,1-ditert-butyl-N,2-dimethylpyrrolidin-3-amine (PubChem CID 170939669) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is (2S)-N,1-ditert-butyl-N,2-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(2S)-N,1-ditert-butyl-N,2-dimethylpyrrolidin-3-amine
PubChem CID170939669
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name(2S)-N,1-ditert-butyl-N,2-dimethylpyrrolidin-3-amine
SMILESC[C@H]1C(N(C)C(C)(C)C)CCN1C(C)(C)C
InChIInChI=1S/C14H30N2/c1-11-12(15(8)13(2,3)4)9-10-16(11)14(5,6)7/h11-12H,9-10H2,1-8H3/t11-,12?/m0/s1
InChIKeyUEQTUNBQWZDCAN-PXYINDEMSA-N
XLogP2.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-1-tert-butyl-2-methylpyrrolidin-3-ol
CID 154309422
(1-tert-butyl-2-methylpyrrolidin-3-yl)methanol
CID 117021966
N-tert-butyl-N,2-dimethylcyclohexan-1-amine
CID 139320124
1,4-ditert-butyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 164706292
1-tert-butyl-2-methylaziridine
CID 15557486
(2S,3R)-1-tert-butyl-2,3,4-trimethylpiperazine
CID 168821031
1-tert-butyl-2,4,6-trimethylazocane
CID 166882089
1-tert-butyl-2-methyl-3-[2-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]propyl]pyrrolidine
CID 138581018
2-tert-butyl-2-azabicyclo[3.2.2]nonane
CID 58465122
1,2-ditert-butyl-3,4-dimethyl-1,3-diazinane
CID 154614439
1,4-ditert-butyl-2-methylpiperazine
CID 58993903
1-N-tert-butyl-1-N,3,3-trimethylcyclopentane-1,2-diamine
CID 127003857

Frequently Asked Questions

What is the IUPAC name of (2S)-N,1-ditert-butyl-N,2-dimethylpyrrolidin-3-amine?
The IUPAC name of (2S)-N,1-ditert-butyl-N,2-dimethylpyrrolidin-3-amine (CID 170939669) is (2S)-N,1-ditert-butyl-N,2-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (2S)-N,1-ditert-butyl-N,2-dimethylpyrrolidin-3-amine?
The canonical SMILES for (2S)-N,1-ditert-butyl-N,2-dimethylpyrrolidin-3-amine is C[C@H]1C(N(C)C(C)(C)C)CCN1C(C)(C)C.
What is the InChIKey of (2S)-N,1-ditert-butyl-N,2-dimethylpyrrolidin-3-amine?
The InChIKey is UEQTUNBQWZDCAN-PXYINDEMSA-N. The full InChI is InChI=1S/C14H30N2/c1-11-12(15(8)13(2,3)4)9-10-16(11)14(5,6)7/h11-12H,9-10H2,1-8H3/t11-,12?/m0/s1.
What are the key properties of (2S)-N,1-ditert-butyl-N,2-dimethylpyrrolidin-3-amine?
(2S)-N,1-ditert-butyl-N,2-dimethylpyrrolidin-3-amine has a molecular weight of 226.41 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,1-ditert-butyl-N,2-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 170939669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).